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

Author(s)
Martin P. Bircher, Justin Villard, Ursula Rothlisberger
Organisation(s)
Computational and Soft Matter Physics
External organisation(s)
École polytechnique fédérale de Lausanne
Journal
Journal of Chemical Theory and Computation
Volume
16
Pages
6550-6559
No. of pages
10
ISSN
1549-9618
DOI
https://doi.org/10.1021/acs.jctc.0c00724
Publication date
10-2020
Peer reviewed
Yes
Austrian Fields of Science 2012
103025 Quantum mechanics, 103029 Statistical physics
Keywords
ASJC Scopus subject areas
Computer Science Applications, Physical and Theoretical Chemistry
Portal url
https://ucrisportal.univie.ac.at/en/publications/3ad3497b-c4ab-487b-ac76-701059c1af7c