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arXiv 2312.08804physics.chem-phcond-mat.str-el
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Richardson-Gaudin态

Richardson-Gaudin States

Paul Andrew Johnson

AI总结:

本研究概述了描述弱关联电子对的Richardson-Gaudin态,介绍了其参数化非线性方程的求解方法、密度矩阵元最优表达式,给出一维氢链的简单描述,并将其纳入可积模型与量子化学双电子波函数的研究框架。

摘要:

本章概述了代表弱关联电子对的Richardson-Gaudin态。它们由从非线性方程组得到的数组进行参数化。本文以直观的方式介绍了求解这些方程的最佳方法,细节详尽,足以实现计算实现。文中讨论了密度矩阵元的最优表达式。还利用Richardson-Gaudin态对一维氢链进行了简单描述。本文将Richardson-Gaudin态置于可积模型与量子化学中的双电子波函数(geminal wavefunctions)的更广泛背景下进行了定位。

英文摘要:

This chapter gives an overview of Richardson-Gaudin states which represent weakly correlated pairs of electrons. They are parametrized by sets of numbers obtained from non-linear equations. The best method to solve these equations is presented in a straightforward manner with enough detail to implement the method computationally. Optimal expressions for the density matrix elements are discussed. A simple description of 1-dimensional hydrogen chains is presented in terms of Richardson-Gaudin states. Richardson-Gaudin states are placed in the larger context of integrable models and geminal wavefunctions of quantum chemistry.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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