Ground and excited state first-order properties in many-body expanded full configuration interaction theory
Author:
Affiliation:
1. School of Chemistry, University of Bristol, Cantock’s Close, Bristol BS8 1TS, United Kingdom
2. Department Chemie, Johannes Gutenberg-Universität Mainz, Duesbergweg 10-14, 55128 Mainz, Germany
Funder
Partnership for Advanced Computing in Europe AISBL
Alexander von Humboldt-Stiftung
Independent Research Fund Denmark
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0024791
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5. Full configuration–interaction and state of the art correlation calculations on water in a valence double‐zeta basis with polarization functions
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