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Bethe ansatz of electrons as a mean‐field wavefunction for chemical systems
International Journal of Quantum Chemistry ( IF 2.2 ) Pub Date : 2020-05-07 , DOI: 10.1002/qua.26255
Laurie Carrier 1 , Charles‐Émile Fecteau 1 , Paul A. Johnson 1
Affiliation  

Eigenvectors of a Hamiltonian solvable by a Bethe ansatz (BA) are employed as a variational trial wavefunction for electrons. Energy expressions are developed showcasing the methods of BA. Numerical results are presented for atomic systems as well as molecular dissociations, which are numerically identical with the restricted Hartree‐Fock (HF) results. The present contribution serves as a bridge between HF and other BA wavefunctions to be employed as mean‐field methods for strongly correlated electrons.

中文翻译:

电子的Bethe antz作为化学系统的平均场波函数

Bethe ansatz(BA)可解的哈密顿量的本征向量被用作电子的变分试验波函数。能量表达被开发以展示BA的方法。给出了原子系统以及分子解离的数值结果,其数值与受限的Hartree-Fock(HF)结果相同。目前的贡献是HF和其他BA波函数之间的桥梁,这些函数将用作强相关电子的均值场方法。
更新日期:2020-05-07
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