Journal article
Richardson–Gaudin mean-field for strong correlation in quantum chemistry
Abstract
Ground state eigenvectors of the reduced Bardeen-Cooper-Schrieffer Hamiltonian are employed as a wavefunction Ansatz to model strong electron correlation in quantum chemistry. This wavefunction is a product of weakly interacting pairs of electrons. While other geminal wavefunctions may only be employed in a projected Schrödinger equation, the present approach may be solved variationally with polynomial cost. The resulting wavefunctions are used …
Authors
Johnson PA; Fecteau C-É; Berthiaume F; Cloutier S; Carrier L; Gratton M; Bultinck P; De Baerdemacker S; Van Neck D; Limacher P
Journal
The Journal of Chemical Physics, Vol. 153, No. 10,
Publisher
AIP Publishing
Publication Date
September 14, 2020
DOI
10.1063/5.0022189
ISSN
0021-9606