求助PDF
{"title":"穿透约束势能下五电子 GaAs/AlxGa1-xAs 量子点的电子结构和结合能分析","authors":"Yusuf Yakar, Bekir Çakır, Ayhan Özmen","doi":"10.1002/adts.202401375","DOIUrl":null,"url":null,"abstract":"In this study, the calculation of average and orbital energies for the ground and excited configurations of five-electron quantum dots (QDs) is performed using the Quantum Genetic Algorithm (QGA) and Hartree-Fock Roothaan (HFR) methods. The average Coulomb and exchange energies of electron pairs, along with one-electron kinetic and Coulomb potential energies, are calculated as a function of the dot radius. A penetrable confinement potential is used as a model to investigate the effects of confinement on both average and orbital energies. Furthermore, this study examines how confinement influences electron probability densities inside and outside the quantum well for ground and excited state configurations. Additionally, the configuration-average binding energy is computed at two different values of the confinement potential. The main conclusion is that the average energy and binding energy go up when the confinement radius is reduced and eventually reach at a fixed value. Other energies rise steadily until reaching their maximum values, after which they decline rapidly as the dot radius continues to decrease. For configurations <span data-altimg=\"/cms/asset/5e24a8e6-5333-4576-b8f2-d6170b96ceea/adts202401375-math-0001.png\"></span><mjx-container ctxtmenu_counter=\"159\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adts202401375-math-0001.png\"><mjx-semantics><mjx-mrow data-semantic-annotation=\"clearspeak:unit\" data-semantic-children=\"0,3,4,7,8,9\" data-semantic-content=\"10,11,12,13,14\" data-semantic- data-semantic-role=\"implicit\" data-semantic-speech=\"1 normal s squared 2 normal s squared n l\" data-semantic-type=\"infixop\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"15\" data-semantic-role=\"integer\" data-semantic-type=\"number\"><mjx-c></mjx-c></mjx-mn><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"15\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-msup data-semantic-children=\"1,2\" data-semantic- data-semantic-parent=\"15\" data-semantic-role=\"latinletter\" data-semantic-type=\"superscript\"><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"3\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi><mjx-script style=\"vertical-align: 0.363em;\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"3\" data-semantic-role=\"integer\" data-semantic-type=\"number\" size=\"s\"><mjx-c></mjx-c></mjx-mn></mjx-script></mjx-msup><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"15\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"15\" data-semantic-role=\"integer\" data-semantic-type=\"number\"><mjx-c></mjx-c></mjx-mn><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"15\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-msup data-semantic-children=\"5,6\" data-semantic- data-semantic-parent=\"15\" data-semantic-role=\"latinletter\" data-semantic-type=\"superscript\"><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"7\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi><mjx-script style=\"vertical-align: 0.363em;\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"7\" data-semantic-role=\"integer\" data-semantic-type=\"number\" size=\"s\"><mjx-c></mjx-c></mjx-mn></mjx-script></mjx-msup><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"15\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-parent=\"15\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"15\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-parent=\"15\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi></mjx-mrow></mjx-semantics></mjx-math><mjx-assistive-mml display=\"inline\" unselectable=\"on\"><math altimg=\"urn:x-wiley:25130390:media:adts202401375:adts202401375-math-0001\" display=\"inline\" location=\"graphic/adts202401375-math-0001.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><semantics><mrow data-semantic-=\"\" data-semantic-annotation=\"clearspeak:unit\" data-semantic-children=\"0,3,4,7,8,9\" data-semantic-content=\"10,11,12,13,14\" data-semantic-role=\"implicit\" data-semantic-speech=\"1 normal s squared 2 normal s squared n l\" data-semantic-type=\"infixop\"><mn data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"15\" data-semantic-role=\"integer\" data-semantic-type=\"number\">1</mn><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"15\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"></mo><msup data-semantic-=\"\" data-semantic-children=\"1,2\" data-semantic-parent=\"15\" data-semantic-role=\"latinletter\" data-semantic-type=\"superscript\"><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"3\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\" mathvariant=\"normal\">s</mi><mn data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"3\" data-semantic-role=\"integer\" data-semantic-type=\"number\">2</mn></msup><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"15\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"></mo><mn data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"15\" data-semantic-role=\"integer\" data-semantic-type=\"number\">2</mn><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"15\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"></mo><msup data-semantic-=\"\" data-semantic-children=\"5,6\" data-semantic-parent=\"15\" data-semantic-role=\"latinletter\" data-semantic-type=\"superscript\"><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"7\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\" mathvariant=\"normal\">s</mi><mn data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"7\" data-semantic-role=\"integer\" data-semantic-type=\"number\">2</mn></msup><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"15\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"></mo><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-parent=\"15\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\">n</mi><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"15\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"></mo><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-parent=\"15\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\">l</mi></mrow>$1{{\\mathrm{s}}^2}2{{\\mathrm{s}}^2}nl$</annotation></semantics></math></mjx-assistive-mml></mjx-container> <span data-altimg=\"/cms/asset/72e7c267-2bf2-4650-958e-fa94585f4acc/adts202401375-math-0002.png\"></span><mjx-container ctxtmenu_counter=\"160\" ctxtmenu_oldtabindex=\"1\" jax=\"CHTML\" role=\"application\" sre-explorer- style=\"font-size: 103%; position: relative;\" tabindex=\"0\"><mjx-math aria-hidden=\"true\" location=\"graphic/adts202401375-math-0002.png\"><mjx-semantics><mjx-mrow data-semantic-children=\"25\" data-semantic-content=\"0,26\" data-semantic- data-semantic-role=\"leftright\" data-semantic-speech=\"left bracket n l equals 2 normal p comma 3 normal d a n d 4 normal f right bracket\" data-semantic-type=\"fenced\"><mjx-mo data-semantic- data-semantic-operator=\"fenced\" data-semantic-parent=\"27\" data-semantic-role=\"open\" data-semantic-type=\"fence\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mrow data-semantic-children=\"20,6,24\" data-semantic-content=\"6\" data-semantic- data-semantic-parent=\"27\" data-semantic-role=\"sequence\" data-semantic-type=\"punctuated\"><mjx-mrow data-semantic-children=\"17,19\" data-semantic-content=\"3\" data-semantic- data-semantic-parent=\"25\" data-semantic-role=\"equality\" data-semantic-type=\"relseq\"><mjx-mrow data-semantic-annotation=\"clearspeak:simple;clearspeak:unit\" data-semantic-children=\"1,2\" data-semantic-content=\"16\" data-semantic- data-semantic-parent=\"20\" data-semantic-role=\"implicit\" data-semantic-type=\"infixop\"><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-parent=\"17\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"17\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic- data-semantic-parent=\"17\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi></mjx-mrow><mjx-mo data-semantic- data-semantic-operator=\"relseq,=\" data-semantic-parent=\"20\" data-semantic-role=\"equality\" data-semantic-type=\"relation\" rspace=\"5\" space=\"5\"><mjx-c></mjx-c></mjx-mo><mjx-mrow data-semantic-annotation=\"clearspeak:simple;clearspeak:unit\" data-semantic-children=\"4,5\" data-semantic-content=\"18\" data-semantic- data-semantic-parent=\"20\" data-semantic-role=\"implicit\" data-semantic-type=\"infixop\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"19\" data-semantic-role=\"integer\" data-semantic-type=\"number\"><mjx-c></mjx-c></mjx-mn><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"19\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"19\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi></mjx-mrow></mjx-mrow><mjx-mo data-semantic- data-semantic-operator=\"punctuated\" data-semantic-parent=\"25\" data-semantic-role=\"comma\" data-semantic-type=\"punctuation\" rspace=\"3\" style=\"margin-left: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mrow data-semantic-annotation=\"clearspeak:unit\" data-semantic-children=\"7,8,10,14,15\" data-semantic-content=\"21,12,22,23\" data-semantic- data-semantic-parent=\"25\" data-semantic-role=\"implicit\" data-semantic-type=\"infixop\"><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"24\" data-semantic-role=\"integer\" data-semantic-type=\"number\"><mjx-c></mjx-c></mjx-mn><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"24\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mrow><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"24\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi><mjx-mspace data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"24\" data-semantic-role=\"space\" data-semantic-type=\"operator\" style=\"width: 0.28em;\"></mjx-mspace><mjx-mi data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"24\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\"><mjx-c></mjx-c><mjx-c></mjx-c><mjx-c></mjx-c></mjx-mi><mjx-mspace style=\"width: 0.28em;\"></mjx-mspace></mjx-mrow><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"24\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mn data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"24\" data-semantic-role=\"integer\" data-semantic-type=\"number\"><mjx-c></mjx-c></mjx-mn><mjx-mo data-semantic-added=\"true\" data-semantic- data-semantic-operator=\"infixop,\" data-semantic-parent=\"24\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic- data-semantic-parent=\"24\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\"><mjx-c></mjx-c></mjx-mi></mjx-mrow></mjx-mrow><mjx-mo data-semantic- data-semantic-operator=\"fenced\" data-semantic-parent=\"27\" data-semantic-role=\"close\" data-semantic-type=\"fence\" style=\"margin-left: 0.056em; margin-right: 0.056em;\"><mjx-c></mjx-c></mjx-mo></mjx-mrow></mjx-semantics></mjx-math><mjx-assistive-mml display=\"inline\" unselectable=\"on\"><math altimg=\"urn:x-wiley:25130390:media:adts202401375:adts202401375-math-0002\" display=\"inline\" location=\"graphic/adts202401375-math-0002.png\" xmlns=\"http://www.w3.org/1998/Math/MathML\"><semantics><mrow data-semantic-=\"\" data-semantic-children=\"25\" data-semantic-content=\"0,26\" data-semantic-role=\"leftright\" data-semantic-speech=\"left bracket n l equals 2 normal p comma 3 normal d a n d 4 normal f right bracket\" data-semantic-type=\"fenced\"><mo data-semantic-=\"\" data-semantic-operator=\"fenced\" data-semantic-parent=\"27\" data-semantic-role=\"open\" data-semantic-type=\"fence\" stretchy=\"false\">[</mo><mrow data-semantic-=\"\" data-semantic-children=\"20,6,24\" data-semantic-content=\"6\" data-semantic-parent=\"27\" data-semantic-role=\"sequence\" data-semantic-type=\"punctuated\"><mrow data-semantic-=\"\" data-semantic-children=\"17,19\" data-semantic-content=\"3\" data-semantic-parent=\"25\" data-semantic-role=\"equality\" data-semantic-type=\"relseq\"><mrow data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple;clearspeak:unit\" data-semantic-children=\"1,2\" data-semantic-content=\"16\" data-semantic-parent=\"20\" data-semantic-role=\"implicit\" data-semantic-type=\"infixop\"><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-parent=\"17\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\">n</mi><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"17\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"></mo><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"italic\" data-semantic-parent=\"17\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\">l</mi></mrow><mo data-semantic-=\"\" data-semantic-operator=\"relseq,=\" data-semantic-parent=\"20\" data-semantic-role=\"equality\" data-semantic-type=\"relation\">=</mo><mrow data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple;clearspeak:unit\" data-semantic-children=\"4,5\" data-semantic-content=\"18\" data-semantic-parent=\"20\" data-semantic-role=\"implicit\" data-semantic-type=\"infixop\"><mn data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"19\" data-semantic-role=\"integer\" data-semantic-type=\"number\">2</mn><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"19\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"></mo><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"19\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\" mathvariant=\"normal\">p</mi></mrow></mrow><mo data-semantic-=\"\" data-semantic-operator=\"punctuated\" data-semantic-parent=\"25\" data-semantic-role=\"comma\" data-semantic-type=\"punctuation\">,</mo><mrow data-semantic-=\"\" data-semantic-annotation=\"clearspeak:unit\" data-semantic-children=\"7,8,10,14,15\" data-semantic-content=\"21,12,22,23\" data-semantic-parent=\"25\" data-semantic-role=\"implicit\" data-semantic-type=\"infixop\"><mn data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"24\" data-semantic-role=\"integer\" data-semantic-type=\"number\">3</mn><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"24\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"></mo><mrow><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"24\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\" mathvariant=\"normal\">d</mi><mspace data-semantic-=\"\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"24\" data-semantic-role=\"space\" data-semantic-type=\"operator\" width=\"0.28em\"></mspace><mi data-semantic-=\"\" data-semantic-font=\"normal\" data-semantic-parent=\"24\" data-semantic-role=\"unknown\" data-semantic-type=\"identifier\">and</mi><mspace width=\"0.28em\"></mspace></mrow><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"24\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"></mo><mn data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"24\" data-semantic-role=\"integer\" data-semantic-type=\"number\">4</mn><mo data-semantic-=\"\" data-semantic-added=\"true\" data-semantic-operator=\"infixop,\" data-semantic-parent=\"24\" data-semantic-role=\"multiplication\" data-semantic-type=\"operator\"></mo><mi data-semantic-=\"\" data-semantic-annotation=\"clearspeak:simple\" data-semantic-font=\"normal\" data-semantic-parent=\"24\" data-semantic-role=\"latinletter\" data-semantic-type=\"identifier\" mathvariant=\"normal\">f</mi></mrow></mrow><mo data-semantic-=\"\" data-semantic-operator=\"fenced\" data-semantic-parent=\"27\" data-semantic-role=\"close\" data-semantic-type=\"fence\" stretchy=\"false\">]</mo></mrow>$[ {nl = 2{\\mathrm{p}}, 3{\\mathrm{d\\;and\\;}}4{\\mathrm{f}}} ]$</annotation></semantics></math></mjx-assistive-mml></mjx-container>, an increase in the 1s and 2s orbital energies is observed when the electron in the <i>nl</i> orbital begins to penetrate the quantum well.","PeriodicalId":7219,"journal":{"name":"Advanced Theory and Simulations","volume":"9 1","pages":""},"PeriodicalIF":2.9000,"publicationDate":"2025-03-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Analysis of Electronic Structure and Binding Energy in Five-Electron GaAs/AlxGa1-xAs Quantum Dots Under Penetrable Confinement Potential\",\"authors\":\"Yusuf Yakar, Bekir Çakır, Ayhan Özmen\",\"doi\":\"10.1002/adts.202401375\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In this study, the calculation of average and orbital energies for the ground and excited configurations of five-electron quantum dots (QDs) is performed using the Quantum Genetic Algorithm (QGA) and Hartree-Fock Roothaan (HFR) methods. The average Coulomb and exchange energies of electron pairs, along with one-electron kinetic and Coulomb potential energies, are calculated as a function of the dot radius. A penetrable confinement potential is used as a model to investigate the effects of confinement on both average and orbital energies. Furthermore, this study examines how confinement influences electron probability densities inside and outside the quantum well for ground and excited state configurations. Additionally, the configuration-average binding energy is computed at two different values of the confinement potential. The main conclusion is that the average energy and binding energy go up when the confinement radius is reduced and eventually reach at a fixed value. Other energies rise steadily until reaching their maximum values, after which they decline rapidly as the dot radius continues to decrease. For configurations <span data-altimg=\\\"/cms/asset/5e24a8e6-5333-4576-b8f2-d6170b96ceea/adts202401375-math-0001.png\\\"></span><mjx-container ctxtmenu_counter=\\\"159\\\" ctxtmenu_oldtabindex=\\\"1\\\" jax=\\\"CHTML\\\" role=\\\"application\\\" sre-explorer- style=\\\"font-size: 103%; position: relative;\\\" tabindex=\\\"0\\\"><mjx-math aria-hidden=\\\"true\\\" location=\\\"graphic/adts202401375-math-0001.png\\\"><mjx-semantics><mjx-mrow data-semantic-annotation=\\\"clearspeak:unit\\\" data-semantic-children=\\\"0,3,4,7,8,9\\\" data-semantic-content=\\\"10,11,12,13,14\\\" data-semantic- data-semantic-role=\\\"implicit\\\" data-semantic-speech=\\\"1 normal s squared 2 normal s squared n l\\\" data-semantic-type=\\\"infixop\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\"><mjx-c></mjx-c></mjx-mn><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-msup data-semantic-children=\\\"1,2\\\" data-semantic- data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"superscript\\\"><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"3\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c></mjx-c></mjx-mi><mjx-script style=\\\"vertical-align: 0.363em;\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"3\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\" size=\\\"s\\\"><mjx-c></mjx-c></mjx-mn></mjx-script></mjx-msup><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\"><mjx-c></mjx-c></mjx-mn><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-msup data-semantic-children=\\\"5,6\\\" data-semantic- data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"superscript\\\"><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"7\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c></mjx-c></mjx-mi><mjx-script style=\\\"vertical-align: 0.363em;\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"7\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\" size=\\\"s\\\"><mjx-c></mjx-c></mjx-mn></mjx-script></mjx-msup><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"italic\\\" data-semantic- data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c></mjx-c></mjx-mi><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"italic\\\" data-semantic- data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c></mjx-c></mjx-mi></mjx-mrow></mjx-semantics></mjx-math><mjx-assistive-mml display=\\\"inline\\\" unselectable=\\\"on\\\"><math altimg=\\\"urn:x-wiley:25130390:media:adts202401375:adts202401375-math-0001\\\" display=\\\"inline\\\" location=\\\"graphic/adts202401375-math-0001.png\\\" xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><semantics><mrow data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:unit\\\" data-semantic-children=\\\"0,3,4,7,8,9\\\" data-semantic-content=\\\"10,11,12,13,14\\\" data-semantic-role=\\\"implicit\\\" data-semantic-speech=\\\"1 normal s squared 2 normal s squared n l\\\" data-semantic-type=\\\"infixop\\\"><mn data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\">1</mn><mo data-semantic-=\\\"\\\" data-semantic-added=\\\"true\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"></mo><msup data-semantic-=\\\"\\\" data-semantic-children=\\\"1,2\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"superscript\\\"><mi data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"3\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\" mathvariant=\\\"normal\\\">s</mi><mn data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"3\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\">2</mn></msup><mo data-semantic-=\\\"\\\" data-semantic-added=\\\"true\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"></mo><mn data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\">2</mn><mo data-semantic-=\\\"\\\" data-semantic-added=\\\"true\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"></mo><msup data-semantic-=\\\"\\\" data-semantic-children=\\\"5,6\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"superscript\\\"><mi data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"7\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\" mathvariant=\\\"normal\\\">s</mi><mn data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"7\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\">2</mn></msup><mo data-semantic-=\\\"\\\" data-semantic-added=\\\"true\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"></mo><mi data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"italic\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\">n</mi><mo data-semantic-=\\\"\\\" data-semantic-added=\\\"true\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"></mo><mi data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"italic\\\" data-semantic-parent=\\\"15\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\">l</mi></mrow>$1{{\\\\mathrm{s}}^2}2{{\\\\mathrm{s}}^2}nl$</annotation></semantics></math></mjx-assistive-mml></mjx-container> <span data-altimg=\\\"/cms/asset/72e7c267-2bf2-4650-958e-fa94585f4acc/adts202401375-math-0002.png\\\"></span><mjx-container ctxtmenu_counter=\\\"160\\\" ctxtmenu_oldtabindex=\\\"1\\\" jax=\\\"CHTML\\\" role=\\\"application\\\" sre-explorer- style=\\\"font-size: 103%; position: relative;\\\" tabindex=\\\"0\\\"><mjx-math aria-hidden=\\\"true\\\" location=\\\"graphic/adts202401375-math-0002.png\\\"><mjx-semantics><mjx-mrow data-semantic-children=\\\"25\\\" data-semantic-content=\\\"0,26\\\" data-semantic- data-semantic-role=\\\"leftright\\\" data-semantic-speech=\\\"left bracket n l equals 2 normal p comma 3 normal d a n d 4 normal f right bracket\\\" data-semantic-type=\\\"fenced\\\"><mjx-mo data-semantic- data-semantic-operator=\\\"fenced\\\" data-semantic-parent=\\\"27\\\" data-semantic-role=\\\"open\\\" data-semantic-type=\\\"fence\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-mrow data-semantic-children=\\\"20,6,24\\\" data-semantic-content=\\\"6\\\" data-semantic- data-semantic-parent=\\\"27\\\" data-semantic-role=\\\"sequence\\\" data-semantic-type=\\\"punctuated\\\"><mjx-mrow data-semantic-children=\\\"17,19\\\" data-semantic-content=\\\"3\\\" data-semantic- data-semantic-parent=\\\"25\\\" data-semantic-role=\\\"equality\\\" data-semantic-type=\\\"relseq\\\"><mjx-mrow data-semantic-annotation=\\\"clearspeak:simple;clearspeak:unit\\\" data-semantic-children=\\\"1,2\\\" data-semantic-content=\\\"16\\\" data-semantic- data-semantic-parent=\\\"20\\\" data-semantic-role=\\\"implicit\\\" data-semantic-type=\\\"infixop\\\"><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"italic\\\" data-semantic- data-semantic-parent=\\\"17\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c></mjx-c></mjx-mi><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"17\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"italic\\\" data-semantic- data-semantic-parent=\\\"17\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c></mjx-c></mjx-mi></mjx-mrow><mjx-mo data-semantic- data-semantic-operator=\\\"relseq,=\\\" data-semantic-parent=\\\"20\\\" data-semantic-role=\\\"equality\\\" data-semantic-type=\\\"relation\\\" rspace=\\\"5\\\" space=\\\"5\\\"><mjx-c></mjx-c></mjx-mo><mjx-mrow data-semantic-annotation=\\\"clearspeak:simple;clearspeak:unit\\\" data-semantic-children=\\\"4,5\\\" data-semantic-content=\\\"18\\\" data-semantic- data-semantic-parent=\\\"20\\\" data-semantic-role=\\\"implicit\\\" data-semantic-type=\\\"infixop\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"19\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\"><mjx-c></mjx-c></mjx-mn><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"19\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"19\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c></mjx-c></mjx-mi></mjx-mrow></mjx-mrow><mjx-mo data-semantic- data-semantic-operator=\\\"punctuated\\\" data-semantic-parent=\\\"25\\\" data-semantic-role=\\\"comma\\\" data-semantic-type=\\\"punctuation\\\" rspace=\\\"3\\\" style=\\\"margin-left: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-mrow data-semantic-annotation=\\\"clearspeak:unit\\\" data-semantic-children=\\\"7,8,10,14,15\\\" data-semantic-content=\\\"21,12,22,23\\\" data-semantic- data-semantic-parent=\\\"25\\\" data-semantic-role=\\\"implicit\\\" data-semantic-type=\\\"infixop\\\"><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\"><mjx-c></mjx-c></mjx-mn><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-mrow><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c></mjx-c></mjx-mi><mjx-mspace data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"space\\\" data-semantic-type=\\\"operator\\\" style=\\\"width: 0.28em;\\\"></mjx-mspace><mjx-mi data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"identifier\\\"><mjx-c></mjx-c><mjx-c></mjx-c><mjx-c></mjx-c></mjx-mi><mjx-mspace style=\\\"width: 0.28em;\\\"></mjx-mspace></mjx-mrow><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-mn data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\"><mjx-c></mjx-c></mjx-mn><mjx-mo data-semantic-added=\\\"true\\\" data-semantic- data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo><mjx-mi data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic- data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\"><mjx-c></mjx-c></mjx-mi></mjx-mrow></mjx-mrow><mjx-mo data-semantic- data-semantic-operator=\\\"fenced\\\" data-semantic-parent=\\\"27\\\" data-semantic-role=\\\"close\\\" data-semantic-type=\\\"fence\\\" style=\\\"margin-left: 0.056em; margin-right: 0.056em;\\\"><mjx-c></mjx-c></mjx-mo></mjx-mrow></mjx-semantics></mjx-math><mjx-assistive-mml display=\\\"inline\\\" unselectable=\\\"on\\\"><math altimg=\\\"urn:x-wiley:25130390:media:adts202401375:adts202401375-math-0002\\\" display=\\\"inline\\\" location=\\\"graphic/adts202401375-math-0002.png\\\" xmlns=\\\"http://www.w3.org/1998/Math/MathML\\\"><semantics><mrow data-semantic-=\\\"\\\" data-semantic-children=\\\"25\\\" data-semantic-content=\\\"0,26\\\" data-semantic-role=\\\"leftright\\\" data-semantic-speech=\\\"left bracket n l equals 2 normal p comma 3 normal d a n d 4 normal f right bracket\\\" data-semantic-type=\\\"fenced\\\"><mo data-semantic-=\\\"\\\" data-semantic-operator=\\\"fenced\\\" data-semantic-parent=\\\"27\\\" data-semantic-role=\\\"open\\\" data-semantic-type=\\\"fence\\\" stretchy=\\\"false\\\">[</mo><mrow data-semantic-=\\\"\\\" data-semantic-children=\\\"20,6,24\\\" data-semantic-content=\\\"6\\\" data-semantic-parent=\\\"27\\\" data-semantic-role=\\\"sequence\\\" data-semantic-type=\\\"punctuated\\\"><mrow data-semantic-=\\\"\\\" data-semantic-children=\\\"17,19\\\" data-semantic-content=\\\"3\\\" data-semantic-parent=\\\"25\\\" data-semantic-role=\\\"equality\\\" data-semantic-type=\\\"relseq\\\"><mrow data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple;clearspeak:unit\\\" data-semantic-children=\\\"1,2\\\" data-semantic-content=\\\"16\\\" data-semantic-parent=\\\"20\\\" data-semantic-role=\\\"implicit\\\" data-semantic-type=\\\"infixop\\\"><mi data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"italic\\\" data-semantic-parent=\\\"17\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\">n</mi><mo data-semantic-=\\\"\\\" data-semantic-added=\\\"true\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"17\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"></mo><mi data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"italic\\\" data-semantic-parent=\\\"17\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\">l</mi></mrow><mo data-semantic-=\\\"\\\" data-semantic-operator=\\\"relseq,=\\\" data-semantic-parent=\\\"20\\\" data-semantic-role=\\\"equality\\\" data-semantic-type=\\\"relation\\\">=</mo><mrow data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple;clearspeak:unit\\\" data-semantic-children=\\\"4,5\\\" data-semantic-content=\\\"18\\\" data-semantic-parent=\\\"20\\\" data-semantic-role=\\\"implicit\\\" data-semantic-type=\\\"infixop\\\"><mn data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"19\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\">2</mn><mo data-semantic-=\\\"\\\" data-semantic-added=\\\"true\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"19\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"></mo><mi data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"19\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\" mathvariant=\\\"normal\\\">p</mi></mrow></mrow><mo data-semantic-=\\\"\\\" data-semantic-operator=\\\"punctuated\\\" data-semantic-parent=\\\"25\\\" data-semantic-role=\\\"comma\\\" data-semantic-type=\\\"punctuation\\\">,</mo><mrow data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:unit\\\" data-semantic-children=\\\"7,8,10,14,15\\\" data-semantic-content=\\\"21,12,22,23\\\" data-semantic-parent=\\\"25\\\" data-semantic-role=\\\"implicit\\\" data-semantic-type=\\\"infixop\\\"><mn data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\">3</mn><mo data-semantic-=\\\"\\\" data-semantic-added=\\\"true\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"></mo><mrow><mi data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\" mathvariant=\\\"normal\\\">d</mi><mspace data-semantic-=\\\"\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"space\\\" data-semantic-type=\\\"operator\\\" width=\\\"0.28em\\\"></mspace><mi data-semantic-=\\\"\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"unknown\\\" data-semantic-type=\\\"identifier\\\">and</mi><mspace width=\\\"0.28em\\\"></mspace></mrow><mo data-semantic-=\\\"\\\" data-semantic-added=\\\"true\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"></mo><mn data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"integer\\\" data-semantic-type=\\\"number\\\">4</mn><mo data-semantic-=\\\"\\\" data-semantic-added=\\\"true\\\" data-semantic-operator=\\\"infixop,\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"multiplication\\\" data-semantic-type=\\\"operator\\\"></mo><mi data-semantic-=\\\"\\\" data-semantic-annotation=\\\"clearspeak:simple\\\" data-semantic-font=\\\"normal\\\" data-semantic-parent=\\\"24\\\" data-semantic-role=\\\"latinletter\\\" data-semantic-type=\\\"identifier\\\" mathvariant=\\\"normal\\\">f</mi></mrow></mrow><mo data-semantic-=\\\"\\\" data-semantic-operator=\\\"fenced\\\" data-semantic-parent=\\\"27\\\" data-semantic-role=\\\"close\\\" data-semantic-type=\\\"fence\\\" stretchy=\\\"false\\\">]</mo></mrow>$[ {nl = 2{\\\\mathrm{p}}, 3{\\\\mathrm{d\\\\;and\\\\;}}4{\\\\mathrm{f}}} ]$</annotation></semantics></math></mjx-assistive-mml></mjx-container>, an increase in the 1s and 2s orbital energies is observed when the electron in the <i>nl</i> orbital begins to penetrate the quantum well.\",\"PeriodicalId\":7219,\"journal\":{\"name\":\"Advanced Theory and Simulations\",\"volume\":\"9 1\",\"pages\":\"\"},\"PeriodicalIF\":2.9000,\"publicationDate\":\"2025-03-22\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Advanced Theory and Simulations\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://doi.org/10.1002/adts.202401375\",\"RegionNum\":4,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MULTIDISCIPLINARY SCIENCES\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Advanced Theory and Simulations","FirstCategoryId":"5","ListUrlMain":"https://doi.org/10.1002/adts.202401375","RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MULTIDISCIPLINARY SCIENCES","Score":null,"Total":0}
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