Molecular multibond dissociation with small complete active space augmented by correlation density functionals
Author:
Affiliation:
1. Institute of Physics, Lodz University of Technology, PL-90-924 Lodz, Poland
2. Faculty of Chemistry, University of Warsaw, 02-093 Warsaw, Poland
3. Section Theoretical Chemistry, VU University, NL-1081 HV Amsterdam, The Netherlands
Funder
Narodowe Centrum Nauki
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/5.0009253
Reference29 articles.
1. Left-right correlation energy
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5. Efficient evaluation of electron correlation along the bond-dissociation coordinate in the ground and excited ionic states with dynamic correlation suppression and enhancement functions of the on-top pair density
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