Imaginary time correlations and the phaseless auxiliary field quantum Monte Carlo

Journal Article · Tue Jan 14 00:00:00 EST 2014 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4861227· OSTI ID:22253594

Motta, M.; Galli, D. E.; Vitali, E. ^[1]; Moroni, S. ^[2]

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1. Dipartimento di Fisica, Università degli Studi di Milano, via Celoria 16, 20133 Milano (Italy)
2. IOM-CNR DEMOCRITOS National Simulation Center and SISSA, via Bonomea 265, 34136 Trieste (Italy)

The phaseless Auxiliary Field Quantum Monte Carlo (AFQMC) method provides a well established approximation scheme for accurate calculations of ground state energies of many-fermions systems. Here we address the possibility of calculating imaginary time correlation functions with the phaseless AFQMC. We give a detailed description of the technique and test the quality of the results for static properties and imaginary time correlation functions against exact values for small systems.

• OSTI ID: 22253594
• Journal Information: Journal of Chemical Physics, Vol. 140, Issue 2; Other Information: (c) 2014 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
APPROXIMATIONS
CORRELATION FUNCTIONS
FERMIONS
GROUND STATES
MONTE CARLO METHOD