The European Physical Journal D最新文献

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Ionic fragmentation by electron impact of isobutanol: mass spectrum, appearance energies and Wannier exponents 异丁醇的电子撞击离子破碎:质谱、显现能和万尼尔指数
IF 1.5 4区 物理与天体物理
The European Physical Journal D Pub Date : 2024-11-28 DOI: 10.1140/epjd/s10053-024-00933-4
O. L. Oliveira Junior, M. C. A. Lopes, R. A. A. Amorim
{"title":"Ionic fragmentation by electron impact of isobutanol: mass spectrum, appearance energies and Wannier exponents","authors":"O. L. Oliveira Junior,&nbsp;M. C. A. Lopes,&nbsp;R. A. A. Amorim","doi":"10.1140/epjd/s10053-024-00933-4","DOIUrl":"10.1140/epjd/s10053-024-00933-4","url":null,"abstract":"<div><p>The mass spectrum (MS) and appearance energies (AEs) of the cationic fragments formed in electron collisions with isobutanol were investigated in this work using a HIDEN EPIC 300 mass spectrometer. We highlight here the discovery of 6 new cationic fragments in the literature for MS as well as 10 AEs and ps values reported for the first time. The MS was acquired for electron impact energy of 70 eV, in the mass region of 1–80 amu and with a resolution of 1 amu. Here we observed the formation of 45 cationic fragments, thus complementing some data previously reported in the literature, 6 of which were unpublished. The relative abundances of the peaks recorded in the MS show good agreement within the experimental error range, with the available values reported in the literature, where such comparison is carried out. The AEs were determined from the acquisition of isobutanol ionic fragmentation curves, for the electron impact energies covering the cationic fragment formation threshold region. The extended Wannier law was applied to obtain the AEs and Wannier exponents (<i>p</i>) of the fragments recorded in the MS, with relative intensity typically greater than 4% of the most intense fragment. This resulted in MS of isobutanol and data for 15 fragments, of which 10 of these fragments are reported for the first time in this work.</p><h3>Graphic abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-11-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142737343","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Short laser pulse effects on spectral dynamics of encapsulated He, Ne, Ar atoms in fullerenes 短激光脉冲对富勒烯中封装 He、Ne 和 Ar 原子光谱动力学的影响
IF 1.5 4区 物理与天体物理
The European Physical Journal D Pub Date : 2024-11-26 DOI: 10.1140/epjd/s10053-024-00935-2
Mustafa Kemal Bahar
{"title":"Short laser pulse effects on spectral dynamics of encapsulated He, Ne, Ar atoms in fullerenes","authors":"Mustafa Kemal Bahar","doi":"10.1140/epjd/s10053-024-00935-2","DOIUrl":"10.1140/epjd/s10053-024-00935-2","url":null,"abstract":"<div><p>This work elucidates the effects of a short laser pulse on the excitation and ionization dynamics of an endofullerene system trapping He, Ne, and Ar atoms. The interactions of noble gas atoms are simulated within the framework of the Single Active Electron (SAE) approximation, and the encapsulation parameters are analyzed to illustrate the excitation and ionization dynamics. The endohedral confinement is modeled using the Woods–Saxon potential, which is a practical and advantageous model that aligns well with experimental data and considers static encapsulation. By considering different numerical values of the endohedral trapping parameters in simulating encapsulation, a detailed analysis on the depth of confinement, spherical shell thickness, the inner radius, and the smoothing parameters is performed to ferret out encapsulation effects in various forms. By determining the strength range and specific frequency values (and ranges) of the laser pulse, the work interprets how electron dynamics in endohedral fullerenes are shaped under laser pulses. All parameters and their respective ranges are crucial gains for optimizing system performance.\u0000</p></div>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-11-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142714529","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A molecular dynamics simulation framework for investigating ionizing radiation-induced nano-bubble interactions at ultra-high dose rates 研究超高剂量率电离辐射诱导纳米气泡相互作用的分子动力学模拟框架
IF 1.5 4区 物理与天体物理
The European Physical Journal D Pub Date : 2024-11-22 DOI: 10.1140/epjd/s10053-024-00928-1
Ramin Abolfath, Niayesh Afshordi, Sohrab Rahvar, Adri C. T. van Duin, Martin Rädler, Reza Taleei, Katia Parodi, Julie Lascaud, Radhe Mohan
{"title":"A molecular dynamics simulation framework for investigating ionizing radiation-induced nano-bubble interactions at ultra-high dose rates","authors":"Ramin Abolfath,&nbsp;Niayesh Afshordi,&nbsp;Sohrab Rahvar,&nbsp;Adri C. T. van Duin,&nbsp;Martin Rädler,&nbsp;Reza Taleei,&nbsp;Katia Parodi,&nbsp;Julie Lascaud,&nbsp;Radhe Mohan","doi":"10.1140/epjd/s10053-024-00928-1","DOIUrl":"10.1140/epjd/s10053-024-00928-1","url":null,"abstract":"<p>We present a microscopic formalism that accounts for the formation of nano-scale bubbles owing to a burst of water molecules after the passage of high energy charged particles that lead to the formation of “hot” non-ionizing excitations or thermal spikes (TS). We construct amorphous track structures to account for the formation of TS by ionizing radiation in liquid water. Subsequently, we simulate sudden expansion and collective motion of water molecules by employing a molecular dynamics (MD) simulation that allows computation of <span>({{mathcal {O}}}(10^6))</span> particle trajectories and breaking/forming of chemical bonds on the fly using a reactive force field, ReaxFF. We calculate the fluctuations of thermodynamic variables before and after TS formation to model the macroscopic abrupt changes in the system, possibly the occurrence of a first-order phase transition, and go beyond the accessible simulation times by engaging fluid dynamic equations with appropriate underlying symmetries and boundary conditions. We demonstrate the coexistence of a rapidly growing condensed state of water and a hot spot that forms a stable state of diluted water at high temperatures and pressures, possibly at a supercritical phase. Depending on the temperature of TS, the thin shell of a highly dense state of water grows by three to five times the speed of sound in water, forming a thin layer of shock wave (SW) buffer, wrapping around the nano-scale cylindrical symmetric bubble. The stability of the bubble, as a result of the incompressibility of water at ambient conditions and the surface tension, allows the transition of supersonic SW to a subsonic contact discontinuity and dissipation to thermo-acoustic sound waves. Thus, TS gradually decays to acoustic waves, a channel of deexcitation that competes with the spontaneous emission of photons, and a direct mechanism for water luminescence. We further study the mergers of nanobubbles that lead to jet-flow structures at the collision interface. We introduce a time delay in the nucleation of nano-bubbles, a novel mechanism, responsible for the growth and stability of much larger or even micro-bubbles, possibly relevant to FLASH ultra-high dose rate (UHDR).</p><p>Molecular dynamic simulation of the interaction between two ionizing radiation-induced nano-bubble formed simultaneously.</p>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-11-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142679502","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Discharge characteristics and ozone generation during CO2 to CO conversion by dielectric barrier discharge packed with TiO2-coated glass beads 用涂覆 TiO2 的玻璃珠填料进行介质阻挡放电将 CO2 转化为 CO 的过程中的放电特性和臭氧生成情况
IF 1.5 4区 物理与天体物理
The European Physical Journal D Pub Date : 2024-11-21 DOI: 10.1140/epjd/s10053-024-00927-2
Mohamed El Shaer, Heba Gabr, Ahmed Zaki, Milad Awad, Mahmoud Ashraf, Mona Mobasher, Adel Phillips, Hassan Afify
{"title":"Discharge characteristics and ozone generation during CO2 to CO conversion by dielectric barrier discharge packed with TiO2-coated glass beads","authors":"Mohamed El Shaer,&nbsp;Heba Gabr,&nbsp;Ahmed Zaki,&nbsp;Milad Awad,&nbsp;Mahmoud Ashraf,&nbsp;Mona Mobasher,&nbsp;Adel Phillips,&nbsp;Hassan Afify","doi":"10.1140/epjd/s10053-024-00927-2","DOIUrl":"10.1140/epjd/s10053-024-00927-2","url":null,"abstract":"<div><p>A packed-bed dielectric barrier discharge was used to investigate CO<sub>2</sub> to CO conversion under different operating conditions as frequency, CO<sub>2</sub>/Ar gas mixture composition and gas flow rate, to understand the effects of their variations on current–voltage discharge characteristics, CO<sub>2</sub> to CO conversion ratios, CO yields, and ozone production. Using TiO<sub>2</sub>-coated glass beads has changed the discharge behavior from the glow mode to a combined filamentary and surface discharge mode, making the discharge more diffuse for higher frequencies in the range of 3.6 to 6 kHz. Higher CO<sub>2</sub> to CO conversion and CO yield are achieved by lowering both operating frequencies and CO<sub>2</sub> concentrations in CO<sub>2</sub>/Ar gas mixture. For TiO<sub>2</sub>-coated glass beads packed discharge, increasing discharge frequency from 3.6 to 6 kHz lower CO<sub>2</sub> conversion from 11.2% to 2.5%, while increasing CO<sub>2</sub> concentrations in CO<sub>2</sub>/Ar gas mixture from 10 to 40% lowers conversion from 11.2% to 5%. The enhancement of ozone production by the introduction of TiO<sub>2</sub>-coated glass beads packing material may be related to improvements of conversion ratio from CO<sub>2</sub> to CO and CO yield showing their larger values at lower frequencies and lower CO<sub>2</sub> percentages in CO<sub>2</sub>/Ar gas mixture. Using inexpensive and easily synthesized in large quantities catalyst material, realized by TiO<sub>2</sub> coating of glass beads in a microwave plasma torch, has permitted to reach DBD operational modes adequate for CO production in moderate concentrations suitable for applications in medicine and agriculture.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142679809","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Ionization of argon atom by positron and electron impact 氩原子受正电子和电子撞击而电离
IF 1.5 4区 物理与天体物理
The European Physical Journal D Pub Date : 2024-11-21 DOI: 10.1140/epjd/s10053-024-00930-7
O. Zaidi, A. Mansouri, S. Houamer, A. Tamin, T. Khatir, C. Dal Cappello
{"title":"Ionization of argon atom by positron and electron impact","authors":"O. Zaidi,&nbsp;A. Mansouri,&nbsp;S. Houamer,&nbsp;A. Tamin,&nbsp;T. Khatir,&nbsp;C. Dal Cappello","doi":"10.1140/epjd/s10053-024-00930-7","DOIUrl":"10.1140/epjd/s10053-024-00930-7","url":null,"abstract":"<div><p>The positron and electron impact ionization of argon 3p at 200 eV impact energy is investigated using a theoretical model called 3CWZ. Within this model all particles of the continuum are represented by Coulomb waves with variable charges Z(r), the post-collision interaction and exchange effects are also included. The triple differential cross section is calculated and compared with recent measurements of Dubois and de Lucio (Atoms 9<b>:</b>78, 2021) and other theories when available, for several kinematics. Our numerical results are in overall good agreement with experiments and illustrate projectile charge effects, better than other available theories.</p><h3>Graphical Abstract</h3><div><figure><div><div><picture><source><img></source></picture></div><div><p>Lonization of argon atom by positron and electron impact</p></div></div></figure></div></div>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-11-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142679684","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Correction: Gravitational force-induced changes in collisionless shock wave behavior in a charge-varying nonthermal dusty plasma 更正:电荷变化的非热尘埃等离子体中引力诱发的无碰撞冲击波行为变化
IF 1.5 4区 物理与天体物理
The European Physical Journal D Pub Date : 2024-11-20 DOI: 10.1140/epjd/s10053-024-00929-0
Ahmed Redha Benrekia, Rachid Fermous, Ziane Kechidi, Rabia Amour
{"title":"Correction: Gravitational force-induced changes in collisionless shock wave behavior in a charge-varying nonthermal dusty plasma","authors":"Ahmed Redha Benrekia,&nbsp;Rachid Fermous,&nbsp;Ziane Kechidi,&nbsp;Rabia Amour","doi":"10.1140/epjd/s10053-024-00929-0","DOIUrl":"10.1140/epjd/s10053-024-00929-0","url":null,"abstract":"","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-11-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142679580","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Characteristics, implementation, and applications of special perfect entanglers 特殊完美纠缠器的特点、实现和应用
IF 1.5 4区 物理与天体物理
The European Physical Journal D Pub Date : 2024-11-18 DOI: 10.1140/epjd/s10053-024-00925-4
Karthick Selvan, S. Balakrishnan
{"title":"Characteristics, implementation, and applications of special perfect entanglers","authors":"Karthick Selvan,&nbsp;S. Balakrishnan","doi":"10.1140/epjd/s10053-024-00925-4","DOIUrl":"10.1140/epjd/s10053-024-00925-4","url":null,"abstract":"<p>In this paper, we discuss the characteristics of special perfect entanglers from a new perspective, present the results obtained from the implementation of special perfect entangler circuits using cross-resonance interaction, and discuss their applications. First, we show that the entangling power of a two-qubit gate is proportional to the mean squared length of the chords present in the argand diagram of squared eigenvalues of the nonlocal part of the gate, and derive the entangling characteristics of special perfect entanglers from the argand diagram associated with them. Next, we discuss the implementation of a single-parameter special perfect entangler circuit in an IBM quantum processor. We implement the circuit for nine different parameters using two methods. In the first method, we use two echoed cross-resonance gates for implementation, and in the second method, we use pulse-level programming to define the pulse sequence of part of the circuits. For a particular input state, we perform quantum state tomography, calculate state fidelity and concurrence of the output density matrices, and compare the results obtained in both methods of implementation. We also measure the average gate fidelity for the B gate circuit. We construct a universal two-qubit quantum circuit using the special perfect entangler circuit. This universal circuit can be used to generate all two-qubit gates in IBM quantum processors. We also show that <span>((n-1))</span> B gate circuits can be used to generate <i>n</i>-qubit GHZ and perfect W states. We generate three-qubit perfect W state in IBM quantum processor. Perfect W state generated using pulse-level programming shows better fidelity than the state generated using four echoed cross-resonance gates.</p>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-11-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142664467","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Enhanced thermoelectric properties of zinc porphyrin dimers-based molecular devices 基于卟啉锌二聚体的分子器件的增强热电性能
IF 1.5 4区 物理与天体物理
The European Physical Journal D Pub Date : 2024-11-15 DOI: 10.1140/epjd/s10053-024-00932-5
Dhia Saiwan Preesam, Hossain Milani Moghaddam, Mohammed Deia Noori
{"title":"Enhanced thermoelectric properties of zinc porphyrin dimers-based molecular devices","authors":"Dhia Saiwan Preesam,&nbsp;Hossain Milani Moghaddam,&nbsp;Mohammed Deia Noori","doi":"10.1140/epjd/s10053-024-00932-5","DOIUrl":"10.1140/epjd/s10053-024-00932-5","url":null,"abstract":"<div><p>In this study, we investigated the electrical and thermoelectric properties of the zinc porphyrin dimer and the double-dimer zinc porphyrin molecular junctions using density functional theory (DFT) combined with the non-equilibrium Green’s function method. Our results demonstrate that the electronic transport and thermoelectric properties of these junctions can be significantly improved in the presence of another dimer. By adding a new zinc porphyrin dimer, the electrical conductance (G) increased up to an order of magnitude and showed further enhancement in the Seebeck coefficient for a good range of Fermi energies. However, the situation is the opposite in the case of the structure of zinc porphyrin dimer without any additives. These results imply that through modifications in the molecular configuration, there exists a promising potential for enhancing the figure of merit (<i>ZT</i>) value, thereby these systems can be potentially utilized to increase the opportunities for versus application in molecular-scale thermoelectric energy generators we conducted a comparative analysis between the zinc porphyrin dimer and the double-dimer zinc porphyrin molecular junctions.</p><h3>Graphic abstract</h3><div><figure><div><div><picture><source><img></source></picture></div><div><p>Zinc porphyrin dimers-based molecular wire</p></div></div></figure></div></div>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142636675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Investigation of structural, IR spectral, thermodynamics and excitation property alterations in (AlN)12 cluster under external electric fields 外电场作用下 (AlN)12 簇的结构、红外光谱、热力学和激发特性变化研究
IF 1.5 4区 物理与天体物理
The European Physical Journal D Pub Date : 2024-11-15 DOI: 10.1140/epjd/s10053-024-00911-w
Jie Yang, Nuerbiye Aizez, Jiajun Ma, Gulimire Yaermaimaiti, Abduhalik Kadir, Xiaoning Wang, Huan An, Bumaliya Abulimiti, Mei Xiang
{"title":"Investigation of structural, IR spectral, thermodynamics and excitation property alterations in (AlN)12 cluster under external electric fields","authors":"Jie Yang,&nbsp;Nuerbiye Aizez,&nbsp;Jiajun Ma,&nbsp;Gulimire Yaermaimaiti,&nbsp;Abduhalik Kadir,&nbsp;Xiaoning Wang,&nbsp;Huan An,&nbsp;Bumaliya Abulimiti,&nbsp;Mei Xiang","doi":"10.1140/epjd/s10053-024-00911-w","DOIUrl":"10.1140/epjd/s10053-024-00911-w","url":null,"abstract":"<div><p>In recent years, there has been a growing global interest in ultra-wide bandgap semiconductor materials, with aluminium nitride emerging as a particularly promising material. Using density-functional theory (DFT) at the CAM-B3LYP/6-311G(3d,2p) basis set level, we have systematically optimized the geometries of the (AlN)<sub>12</sub> cluster. Furthermore, the structural and thermodynamic changes of these clusters under the external electric field (EEF) were investigated. When the external electric field intensity increased the energy gap decreases continuously, infrared spectral analysis showed an obvious Stark effect, and the molecular structure showed significant alterations. Additionally, the study examined orbital compositions and excitation properties of twenty excited states using time-dependent density-functional theory (TD-DFT). The results indicated a decrease in excitation energy with increasing EEF, resulting in longer wavelengths and red-shifted spectral. These findings provide an opportunity to precisely modulate the electronic properties of (AlN)<sub>12</sub> cluster by controlling the strength and direction of the EEF, opening up more possibilities for their application in photoelectronic devices.</p><h3>Graphical abstract</h3><div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142636674","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Conservation of the number of nodes in the wavefunctions of one-electron diatomic quasimolecules 单电子双原子准分子波函数节点数的守恒性
IF 1.5 4区 物理与天体物理
The European Physical Journal D Pub Date : 2024-11-11 DOI: 10.1140/epjd/s10053-024-00923-6
Tamaz Kereselidze, Irakli Noselidze
{"title":"Conservation of the number of nodes in the wavefunctions of one-electron diatomic quasimolecules","authors":"Tamaz Kereselidze,&nbsp;Irakli Noselidze","doi":"10.1140/epjd/s10053-024-00923-6","DOIUrl":"10.1140/epjd/s10053-024-00923-6","url":null,"abstract":"<div><p>The conservation of the number of nodes in the wavefunctions of one-electron diatomic quasimolecules is treated. The elaborated approach is focused on the behavior of separation constants and their relationship to the number of nodes as the distance between nuclei varies. By examining the separation constants for quasimolecules with different nuclear charges, we demonstrate the robustness of the number of nodes across different states and separations without explicitly defining the wavefunctions themselves.</p><h3>Graphical abstract</h3>\u0000<div><figure><div><div><picture><source><img></source></picture></div></div></figure></div></div>","PeriodicalId":789,"journal":{"name":"The European Physical Journal D","volume":"78 11","pages":""},"PeriodicalIF":1.5,"publicationDate":"2024-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142600599","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"物理与天体物理","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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