{"title":"达布变换耦合量子绝热开关:同时产生本征光谱的可行方法","authors":"Meghna Bhattacharyya , Susmita Kar","doi":"10.1016/j.chemphys.2025.112923","DOIUrl":null,"url":null,"abstract":"<div><div>This article endeavours to provide a methodological development for generation of eigen- spectrum of given quantum mechanical potential, employing a combination of Darboux transformation and quantum adiabatic switching theorem, bypassing direct solution of Schrödinger equation. Here, Darboux potential is derived directly from Riccati equation, a first-order non-linear differential equation, and from that Darboux potential, the ground eigen-state is generated. Considering that ground eigen-state as initial wave-function in the adiabatic switching process, ground eigen-state of the partner Hamiltonian is obtained. Subsequently, applying proper Darboux charge operator, first excited eigen-state of the initial Hamiltonian is procured. Repetition of the process of switching and execution of Darboux operator leads to simultaneous generation of eigen-spectra for both Darboux partners. Application of the proposed method in model potentials yields results, qualitatively consistent with known observations. Moreover, calculation of quantum information entropy during switching leads to estimation of change in thermodynamic entropy for corresponding physical processes.</div></div>","PeriodicalId":272,"journal":{"name":"Chemical Physics","volume":"601 ","pages":"Article 112923"},"PeriodicalIF":2.4000,"publicationDate":"2025-08-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Darboux transformation coupled quantum adiabatic switching: A viable way for simultaneous generation of eigen spectra\",\"authors\":\"Meghna Bhattacharyya , Susmita Kar\",\"doi\":\"10.1016/j.chemphys.2025.112923\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>This article endeavours to provide a methodological development for generation of eigen- spectrum of given quantum mechanical potential, employing a combination of Darboux transformation and quantum adiabatic switching theorem, bypassing direct solution of Schrödinger equation. Here, Darboux potential is derived directly from Riccati equation, a first-order non-linear differential equation, and from that Darboux potential, the ground eigen-state is generated. Considering that ground eigen-state as initial wave-function in the adiabatic switching process, ground eigen-state of the partner Hamiltonian is obtained. Subsequently, applying proper Darboux charge operator, first excited eigen-state of the initial Hamiltonian is procured. Repetition of the process of switching and execution of Darboux operator leads to simultaneous generation of eigen-spectra for both Darboux partners. Application of the proposed method in model potentials yields results, qualitatively consistent with known observations. Moreover, calculation of quantum information entropy during switching leads to estimation of change in thermodynamic entropy for corresponding physical processes.</div></div>\",\"PeriodicalId\":272,\"journal\":{\"name\":\"Chemical Physics\",\"volume\":\"601 \",\"pages\":\"Article 112923\"},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2025-08-29\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Chemical Physics\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0301010425003246\",\"RegionNum\":3,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q4\",\"JCRName\":\"CHEMISTRY, PHYSICAL\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Physics","FirstCategoryId":"92","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0301010425003246","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q4","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
Darboux transformation coupled quantum adiabatic switching: A viable way for simultaneous generation of eigen spectra
This article endeavours to provide a methodological development for generation of eigen- spectrum of given quantum mechanical potential, employing a combination of Darboux transformation and quantum adiabatic switching theorem, bypassing direct solution of Schrödinger equation. Here, Darboux potential is derived directly from Riccati equation, a first-order non-linear differential equation, and from that Darboux potential, the ground eigen-state is generated. Considering that ground eigen-state as initial wave-function in the adiabatic switching process, ground eigen-state of the partner Hamiltonian is obtained. Subsequently, applying proper Darboux charge operator, first excited eigen-state of the initial Hamiltonian is procured. Repetition of the process of switching and execution of Darboux operator leads to simultaneous generation of eigen-spectra for both Darboux partners. Application of the proposed method in model potentials yields results, qualitatively consistent with known observations. Moreover, calculation of quantum information entropy during switching leads to estimation of change in thermodynamic entropy for corresponding physical processes.
期刊介绍:
Chemical Physics publishes experimental and theoretical papers on all aspects of chemical physics. In this journal, experiments are related to theory, and in turn theoretical papers are related to present or future experiments. Subjects covered include: spectroscopy and molecular structure, interacting systems, relaxation phenomena, biological systems, materials, fundamental problems in molecular reactivity, molecular quantum theory and statistical mechanics. Computational chemistry studies of routine character are not appropriate for this journal.