Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach-Reference-Cited by-同舟云学术

Forces and stress in second order Møller-Plesset perturbation theory for condensed phase systems within the resolution-of-identity Gaussian and plane waves approach

Published:2015-09-14 Issue:10 Volume:143 Page:102803
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Del Ben Mauro¹,Hutter Jürg¹,VandeVondele Joost²^ORCID

Affiliation:

1. Department of Chemistry, University of Zürich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland

2. Department of Materials, ETH Zürich, Wolfgang-Pauli-Strasse 27, CH-8093 Zürich, Switzerland

Funder

High Performance and High productivity Programme (HP2C)

Platform for Advanced Scientific Computing (PASC)

Swiss national supercomputer center (CSCS)

European Research Council (ERC)

Partnership for Advanced Computing in Europe AISBL (PRACE)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.4919238

Reference131 articles.

1. Note on an Approximation Treatment for Many-Electron Systems

2. Second-Order Many-Body Perturbation Theory: An Eternal Frontier

3. Semiempirical hybrid density functional with perturbative second-order correlation

4. Efficient and Accurate Double-Hybrid-Meta-GGA Density Functionals—Evaluation with the Extended GMTKN30 Database for General Main Group Thermochemistry, Kinetics, and Noncovalent Interactions

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