Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States-Reference-Cited by-同舟云学术

Efficient Treatment of Correlation Energies at the Basis-Set Limit by Monte Carlo Summation of Continuum States

Published:2020-09-11 Issue:10 Volume:16 Page:6550-6559
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Bircher Martin P.¹^ORCID,Villard Justin²^ORCID,Rothlisberger Ursula²^ORCID

Affiliation:

1. Computational and Soft Matter Physics, Universität Wien, Sensengasse 8/9, A-1090 Wien, Austria

2. Laboratory of Computational Chemistry and Biochemistry, Institut des Sciences et Ingénierie Chimiques, Ecole Polytechnique Fédérale de Lausanne (EPFL), Av. F.A. Forel 2, CH-1015 Lausanne, Switzerland

Funder

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

http://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00724

Reference94 articles.

1. How van der Waals interactions determine the unique properties of water

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3. Electronic Structure and van der Waals Interactions in the Stability and Mobility of Point Defects in Semiconductors

4. Molecular Electronic-Structure Theory

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