Novel methods for configuration interaction and orbital optimization for wave functions containing non-orthogonal orbitals with applications to the chromium dimer and trimer
Author:
Affiliation:
1. Department of Chemistry, Aarhus University, Langelandsgade 140, DK-8000 Aarhus C, Denmark
Funder
Danish e-Infrastructure Cooperation (DeIC)
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.4929724
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