Richardson-Gaudin geminal wavefunctions in a Slater determinant basis

DOI10.1007/S10910-020-01197-0MaRDI QIDQ830879zbMATH OpenOpenAlexFDO

Authors Charles-Émile Fecteau, Frédéric Berthiaume, Meriem Khalfoun, Paul Andrew Johnson

Publication date 10 May 2021

Published in Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL https://arxiv.org/abs/2009.08349

zbMATH Keywords

geminal wavefunctionsRichardson-Gaudin wavefunctionsstrong electron correlation

Mathematics Subject Classification ID

Molecular physics (81V55) Many-body theory; quantum Hall effect (81V70) Special quantum systems, such as solvable systems (81Q80) Computational density functional analysis in statistical mechanics (82M36)

Abstract: Geminal wavefunctions have been employed to model strongly-correlated electrons. These wavefunctions represent products of weakly-correlated pairs of electrons and reasonable approximations are computable with polynomial cost. In particular, Richardson-Gaudin states have recently been employed as a variational ansatz. This contribution serves to explain the Richardson-Gaudin wavefunctions in the conventional language of quantum chemistry.

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Cited in

(6)

• A conjecture on antisymmetrized geminal power wavefunctions
• Strongly orthogonal geminals: size-extensive and variational reference states
• Capturing the interelectron cusp using a geminal layer on an unconstrained sum of Slater determinants
• Pertubative corrections for Hartree-Fock-like algebraic Bethe ansatz analogue
• Two-electron wavefunctions are matrix product states with bond dimension three
• Adiabatic continuity and broken symmetry in many-electron systems: a variational perspective

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