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Bethe ansatz of electrons as a mean‐field wavefunction for chemical systems
Author(s) -
Carrier Laurie,
Fecteau CharlesÉmile,
Johnson Paul A.
Publication year - 2020
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.26255
Subject(s) - wave function , bethe ansatz , hamiltonian (control theory) , electron , ansatz , eigenvalues and eigenvectors , physics , quantum mechanics , core electron , hartree–fock method , quantum electrodynamics , mathematical physics , mathematics , quantum , mathematical optimization
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.