Quantum Monte Carlo Algorithm Based on Two-Body Density Functional Theory for Fermionic Many-Body Systems: Application to 3He

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

4 pages, 3 figures, 1 table

References in corpus (3)

• Effects of Backflow Correlation in the Three-Dimensional Electron Gas: Quantum Monte Carlo Study
• Unbiased estimators in Quantum Monte Carlo methods: application to liquid ${}^4$He
• Progress in Monte Carlo calculations of Fermi systems: normal liquid 3He

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