Sign problem of the fermionic shadow wave function

Calcavecchia, Francesco; Pederiva, Francesco; Kalos, Malvin H.; Kühne, Thomas D.

doi:10.1103/physreve.90.053304

Sign problem of the fermionic shadow wave function

Journal Article · Tue Nov 04 00:00:00 EST 2014 · Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics

DOI:https://doi.org/10.1103/physreve.90.053304· OSTI ID:1884648

Calcavecchia, Francesco ^[1]; Pederiva, Francesco ^[2]; Kalos, Malvin H. ^[3]; Kühne, Thomas D. ^[4]

Johannes Gutenberg Univ., Mainz (Germany); Graduate School Materials Science, Mainz (Germany)
Univ. of Trento (Italy); Istituto Nazionale di Fisica Nucleare, Trento (Italy). Trento Institute for Fundamental Physics and Applications (INFN-TIFPA)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Johannes Gutenberg Univ., Mainz (Germany); Univ. Paderborn (Germany)

Here, we present a whole series of methods to alleviate the sign problem of the fermionic shadow wave function in the context of variational Monte Carlo. The effectiveness of our techniques is demonstrated on liquid ³He. We found that although the variance is reduced, the gain in efficiency is restricted by the increased computational cost. Yet, this development not only extends the scope of the fermionic shadow wave function, but also facilitates highly accurate quantum Monte Carlo simulations previously thought not feasible.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States)

Sponsoring Organization:: Carl Zeiss Foundation; Graduate School of Excellence Materials Science; Max-Planck Graduate Center; USDOE; USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: AC52-07NA27344

OSTI ID:: 1884648

Alternate ID(s):: OSTI ID: 1180284

Report Number(s):: LLNL-JRNL-655716; 776054

Journal Information:: Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics, Journal Name: Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics Journal Issue: 5 Vol. 90; ISSN 1539-3755

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Euler Monte Carlo calculations for liquid He 4 and He 3 Moroni, Saverio; Fantoni, Stefano; Senatore, Gaetano Physical Review B, Vol. 52, Issue 18 https://doi.org/10.1103/physrevb.52.13547	journal	November 1995
Shadow wave function for liquid and solid He 3 Pederiva, F.; Vitiello, S. A.; Gernoth, K. Physical Review B, Vol. 53, Issue 22 https://doi.org/10.1103/physrevb.53.15129	journal	June 1996
Variational study of vacancies in solid4Hewith shadow wave functions Pederiva, F.; Chester, G. V.; Fantoni, S. Physical Review B, Vol. 56, Issue 10 https://doi.org/10.1103/physrevb.56.5909	journal	September 1997
Variational Monte Carlo study of the ground-state properties and vacancy formation energy of solid para-H2using a shadow wave function Operetto, Francesco; Pederiva, Francesco Physical Review B, Vol. 69, Issue 2 https://doi.org/10.1103/physrevb.69.024203	journal	January 2004
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Iterative backflow renormalization procedure for many-body ground state wave functions of strongly interacting normal Fermi liquids Taddei, Michele; Ruggeri, Michele; Moroni, Saverio arXiv https://doi.org/10.48550/arxiv.1501.02199	text	January 2015
Nonlinear Network description for many-body quantum systems in continuous space Ruggeri, Michele; Moroni, Saverio; Holzmann, Markus arXiv https://doi.org/10.48550/arxiv.1711.01993	text	January 2017

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