Sign problem of the fermionic shadow wave function

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

Phys. Rev. E 90, 053304 – Published 4 November 2014

Abstract

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 ${}^{3}{He}$ . 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.

Received 15 June 2014

DOI:https://doi.org/10.1103/PhysRevE.90.053304

Authors & Affiliations

Francesco Calcavecchia^*

Institute of Physics, Johannes Gutenberg-University, Staudingerweg 7, D-55128 Mainz, Germany and Graduate School Materials Science in Mainz, Staudingerweg 9, D-55128 Mainz, Germany

Francesco Pederiva

Dipartimento di Fisica, University of Trento, via Sommarive 14, I-38050 Povo, Trento, Italy and INFN-TIFPA, Trento Institute for Fundamental Physics and Applications, Trento, Italy

Malvin H. Kalos

Lawrence Livermore National Laboratory, Livermore, California 94550, USA

Thomas D. Kühne^†

Institute of Physical Chemistry and Center for Computational Sciences, Johannes Gutenberg University Mainz, Staudinger Weg 7, D-55128 Mainz, Germany and Department of Chemistry, University of Paderborn, Warburger Strasse 100, D-33098 Paderborn, Germany

^*francesco.calcavecchia@gmail.com
^†tdkuehne@mail.upb.de

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Vol. 90, Iss. 5 — November 2014

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