An efficient implementation of the NEVPT2 and CASPT2 methods avoiding higher-order density matrices
Author:
Affiliation:
1. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany
2. Qingdao Institute for Theoretical and Computational Sciences, Shandong University, Qingdao, Shandong 266237, China
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
https://aip.scitation.org/doi/pdf/10.1063/5.0072129
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4. Direct configuration interaction with a reference state composed of many reference configurations
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