A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias-Reference-Cited by-同舟云学术

A new scheme for fixed node diffusion quantum Monte Carlo with pseudopotentials: Improving reproducibility and reducing the trial-wave-function bias

Author:

Zen Andrea¹²³⁴^ORCID,Brandenburg Jan Gerit¹⁵^ORCID,Michaelides Angelos¹²³^ORCID,Alfè Dario¹²⁴⁶^ORCID

Affiliation:

1. Thomas Young Centre, University College London, London WC1H 0AH, United Kingdom

2. London Centre for Nanotechnology, Gordon St., London WC1H 0AH, United Kingdom

3. Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom

4. Department of Earth Sciences, University College London, London WC1E 6BT, United Kingdom

5. Interdisciplinary Center for Scientific Computing, University of Heidelberg, Im Neuenheimer Feld 205A, 69120 Heidelberg, Germany

6. Dipartimento di Fisica Ettore Pancini, Università di Napoli Federico II, Monte S. Angelo, I-80126 Napoli, Italy

Funder

Oak Ridge Leadership Computing Facility

ARCHER UK National Supercomputing Service

UKCP Consortium

Air Force Office of Scientific Research

FP7 Ideas: European Research Council

Engineering and Physical Sciences Research Council

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference86 articles.

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