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.
Authors
- Peter Rosenberg (ORCID: https://orcid.org/0000-0001-7164-3140)
- Ettore Vitali (ORCID: https://orcid.org/0000-0003-0626-2979)
- Shiwei Zhang (ORCID: https://orcid.org/0000-0001-9635-170X)
Institutions
- Flatiron Health (United States) (US)
- California State University, Fresno (US)
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
Funders
- Simons Foundation
- Division of Physics