Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo-Reference-Cited by-同舟云学术

Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo

Published:2016-05-21 Issue:19 Volume:144 Page:194105
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Filippi Claudia¹,Assaraf Roland²,Moroni Saverio³

Affiliation:

1. MESA+ Institute for Nanotechnology, University of Twente, P.O. Box 217, 7500 AE Enschede, The Netherlands

2. Sorbonne Universités, UPMC Univ Paris 06, CNRS, Laboratoire de Chimie Théorique CC 137-4, place Jussieu F-75252 Paris Cedex 05, France

3. CNR-IOM DEMOCRITOS, Istituto Officina dei Materiali, and SISSA Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, I-34136 Trieste, Italy

Funder

Nederlandse Organisatie voor Wetenschappelijk Onderzoek (NWO)

Ministero dell'Istruzione, dell'Università e della Ricerca (MIUR)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4948778

Reference10 articles.

1. Quantum Monte Carlo simulations of solids

2. Applications of quantum Monte Carlo methods in condensed systems

3. Zero-variance zero-bias principle for observables in quantum Monte Carlo: Application to forces

4. Two aspects of quantum monte carlo: Determination of accurate wavefunctions and determination of potential energy surfaces of molecules

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