Bulletin of the American Physical Society
APS March Meeting 2023
Volume 68, Number 3
Las Vegas, Nevada (March 5-10)
Virtual (March 20-22); Time Zone: Pacific Time
Session S61: Precision Many Body Physics IV: Modeling and Real Materials
8:00 AM–11:00 AM,
Thursday, March 9, 2023
Room: Room 418
Sponsoring
Units:
DCOMP DAMOP DCMP
Chair: Volodymyr Turkowski, University of Central Florida
Abstract: S61.00011 : The interface between Quantum Monte Carlo techniques and mean-field calculations for strongly correlated quantum many-body systems*
10:24 AM–10:36 AM
Presenter:
Harrison J Mausolff
(California State University Fresno)
Author:
Harrison J Mausolff
(California State University Fresno)
Collaborations:
Harrison Mausolff, hmausolff@mail.fresnostate.edu, California State University Fresno,
Sobhan Sayadpour, sobhan314@mail.fresnostate.edu, California State University Fresno,
Ettore Vitali, evitali@mail.fresnostate.edu
Quantum Monte Carlo techniques are well established cutting-edge tools to unravel the behavior of quantum many-body systems. However, in most cases such methodologies need approximations due to the fermion sign problem, and such approximations are often uncontrollable. In particular, in the realm of ground state methodologies, a trial wave function, usually a mean-field wave function, is generally used to build an approximation. Recently, self-consistent procedures have been designed to systematically improve the trial wave function and to minimize the bias. We will show the results of systematic benchmarks relying on interfacing Hartree-Fock calculations with Constrained Path Quantum Monte Carlo calculations. In particular, we will focus on the Hubbard Hamiltonian as a guiding example and we will compute charge and magnetic correlations, as well as probes of electron localization.
*This work is supported by NSF award #2207048.
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