Reaching Full Correlation through Nonorthogonal Configuration Interaction: A Second-Order Perturbative Approach
Author:
Affiliation:
1. Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, U.K.
Funder
Royal Society
Cambridge Commonwealth, European and International Trust
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c00468
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5. Non-orthogonal internally contracted multi-configurational perturbation theory (NICPT): Dynamic electron correlation for large, compact active spaces
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