Quantum Monte Carlo Algorithm Based on Two-Body Density Functional Theory for Fermionic Many-Body Systems: Application to He3
Year: 2004
Type: article
Abstract: We construct a quantum Monte Carlo algorithm for interacting fermions using the two-body density as the fundamental quantity. The central idea is mapping the interacting fermionic system onto an auxiliary system of interacting bosons. The correction term is approximated using correlated wave functions for the interacting system, resulting in an effective potential that represents the nodal surface. We calculate the properties of 3He and find good agreement with experiment and with other theoretical work. In particular, our results for the total energy agree well with other calculations where the same approximations were implemented but the standard quantum Monte Carlo algorithm was used.
Source: Physical Review Letters
Authors: Balázs Hetényi, L. Brualla, S. Fantoni
Institution: Scuola Internazionale Superiore di Studi Avanzati
Language: Latvian
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W2071946343