论微分形式下量子力学期望的推导

Q4 Materials Science
Shin-ichiro KONDO, Tatsushi KONDO, Atsushi KONDO, Kazuyoshi YOSHIMURA
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引用次数: 0

摘要

通常,各种物理量的期望值,如占据某些状态的电子数或不同状态的电子之间的库仑相互作用,可以用积分来表示。相反,我们的方法,基于微分形式,表明期望值可以通过平均时间来获得。为了证实我们的方法的有效性,我们准备了两种情况:一种是非常简单的没有多体相互作用的情况,另一种是包含多体项的情况(最简单的安德森哈密顿量)。对于不包含多体项的简单情况,我们用解析方法证明了由我们的方法得到的占据任意态的电子数与由格林函数方法得到的解析电子数是等价的。当包含多体项时,我们的结果与格林函数法的解析结果有很好的数值一致性。通过这两种情况,认为基于该方法的期望值计算是有效的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
On the Derivation of Quantum Mechanical Expectations in the Differential Form
Usually, expected values for various physical quantities, such as the number of electrons occupying certain states or the Coulomb interaction between different states of electrons, can be expressed in terms of integrals. In contrast, our method, based on differential forms, shows that expected values can be obtained by averaging over time. To confirm the validity of our method, we prepare the two cases: one is a very simple case with no many-body interaction, and the other is the case where the many-body term is included (the simplest Anderson Hamiltonian). Regarding the simple case without inclusion of many-body term, we prove analytically that the number of electrons occupying any state derived from our method is equivalent to the analytical one evaluated from the Greenʼs function method. When the many-body term is included, our results show good numerical agreement with the analytical ones derived from the Greenʼs function method. By the two cases, the calculation of expected values based on our method is considered valid.
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来源期刊
CiteScore
0.40
自引率
0.00%
发文量
112
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