Extension of frozen natural orbital approximation to open-shell references: Theory, implementation, and application to single-molecule magnets
Author:
Affiliation:
1. Department of Chemistry, University of Southern California, Los Angeles, California 90089-0482, USA
2. Department of Chemistry, Lomonosov Moscow State University, Moscow 119991, Russia
Funder
U.S. Department of Energy
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.5138643
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