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Richardson–Gaudin mean-field for strong...
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