Darboux transformation coupled quantum adiabatic switching: A viable way for simultaneous generation of eigen spectra

IF 2.4 3区 化学 Q4 CHEMISTRY, PHYSICAL
Meghna Bhattacharyya , Susmita Kar
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引用次数: 0

Abstract

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.

Abstract Image

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
本文试图利用达布变换和量子绝热开关定理的结合,绕过Schrödinger方程的直接解,为给定量子力学势的本征谱的生成提供一种方法发展。这里,达布势直接由一阶非线性微分方程Riccati方程导出,并由该达布势生成基本态。将基本征态作为绝热开关过程的初始波函数,得到了伴波哈密顿量的基本征态。然后,应用适当的达布电荷算子,得到了初始哈密顿量的第一激发态。Darboux算子的切换和执行过程的重复导致两个Darboux伙伴的特征谱同时生成。将所提出的方法应用于模型电位得到的结果与已知观测结果在质量上一致。此外,计算交换过程中的量子信息熵可以估计相应物理过程的热力学熵变化。
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来源期刊
Chemical Physics
Chemical Physics 化学-物理:原子、分子和化学物理
CiteScore
4.60
自引率
4.30%
发文量
278
审稿时长
39 days
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.
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