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.
Imaginary time correlations and the phaseless auxiliary field quantum Monte Carlo / M. Motta, D.E. Galli, S. Moroni, E. Vitali. - In: THE JOURNAL OF CHEMICAL PHYSICS. - ISSN 0021-9606. - 140:2(2014 Jan 13), pp. 024107.1-024107.12. [10.1063/1.4861227]
Imaginary time correlations and the phaseless auxiliary field quantum Monte Carlo
M. Motta;D.E. Galli;E. Vitali
2014
Abstract
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.
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