Monte Carlo methods in the manifold of Hartree–Fock–Bogoliubov wave functions

We explore the possibility of implementing random walks in the manifold of Hartree-Fock-Bogoliubov wave functions. The goal is to extend state-of-the-art quantum Monte Carlo approaches, in particular the constrained-path auxiliary-field quantum Monte Carlo technique, to systems where finite pairing order parameters or complex pairing mechanisms, e.g., Fulde-Ferrell-Larkin-Ovchinnikov pairing or triplet pairing, may be expected. Leveraging the flexibility to define a vacuum state tailored to the physical problem, we discuss a method to use imaginary-time evolution of Hartree-Fock-Bogoliubov states to compute ground state correlations, extending beyond situations spanned by current formalisms. Illustrative examples are provided.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2024-10-07
DOI
https://doi.org/10.1063/5.0228450
Citations
1
Primary Topic
Physics of Superconductivity and Magnetism
Type
article
Field-Weighted Citation Impact
0.31

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article

Monte Carlo methods in the manifold of Hartree–Fock–Bogoliubov wave functions

Peter Rosenberg, Ettore Vitali, Shiwei Zhang
1 citations
The Journal of Chemical Physics
Physics of Superconductivity and Magnetism
0.31
article

Monte Carlo methods in the manifold of Hartree–Fock–Bogoliubov wave functions

Peter Rosenberg, Ettore Vitali, Shiwei Zhang
article en
1 citations

Abstract

We explore the possibility of implementing random walks in the manifold of Hartree-Fock-Bogoliubov wave functions. The goal is to extend state-of-the-art quantum Monte Carlo approaches, in particular the constrained-path auxiliary-field quantum Monte Carlo technique, to systems where finite pairing order parameters or complex pairing mechanisms, e.g., Fulde-Ferrell-Larkin-Ovchinnikov pairing or triplet pairing, may be expected. Leveraging the flexibility to define a vacuum state tailored to the physical problem, we discuss a method to use imaginary-time evolution of Hartree-Fock-Bogoliubov states to compute ground state correlations, extending beyond situations spanned by current formalisms. Illustrative examples are provided.

The Journal of Chemical PhysicsVol. 161(13)
Flatiron Health (United States) (US), California State University, Fresno (US)
Simons Foundation, Division of Physics
Openalex Percentile: Top 43%
Physics of Superconductivity and Magnetism
0.31
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