Your browser doesn't support javascript.
loading
Mostrar: 20 | 50 | 100
Resultados 1 - 1 de 1
Filtrar
Mais filtros








Base de dados
Intervalo de ano de publicação
1.
J Chem Phys ; 156(19): 194103, 2022 May 21.
Artigo em Inglês | MEDLINE | ID: mdl-35597662

RESUMO

Eigenvectors of the reduced Bardeen-Cooper-Schrieffer (BCS) Hamiltonian, Richardson-Gaudin (RG) states, are used as a variational wavefunction ansatz for strongly correlated electronic systems. These states are geminal products whose coefficients are solutions of non-linear equations. Previous results showed an un-physical apparent avoided crossing in ground state dissociation curves for hydrogen chains. In this paper, it is shown that each seniority-zero state of the molecular Coulomb Hamiltonian corresponds directly to an RG state. However, the seniority-zero ground state does not correspond to the ground state of a reduced BCS Hamiltonian. The difficulty is in choosing the correct RG state. The systems studied showed a clear choice, and we expect that it should always be possible to reason physically which state to choose.

SELEÇÃO DE REFERÊNCIAS
DETALHE DA PESQUISA