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An efficient pair natural orbital based configuration interaction scheme for the calculation of open-shell ionization potentials
Authors: Sen, Avjit; de Souza, Bernardo; Huntington, Lee M. J.; Krupicka, Martin; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of Chemical Physics
Volume: 149
Issue / Number: 11
Start Page: 114108-1
End Page: 114108-17
Sequence Number of Article: 114108
Document Type: Article
ID: 743406.0
Similarity transformed equation of motion coupled-cluster theory based on an unrestricted Hartree-Fock reference for applications to high-spin open-shell systems
Authors: Huntington, Lee M. J.; Krupicka, Martin; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Journal of Chemical Physics
Volume: 147
Issue / Number: 17
Start Page: 174104-1
End Page: 174104-13
Sequence Number of Article: 174104
Document Type: Article
ID: 735215.0
Accurate thermochemistry from a parameterized coupled-cluster singles and doubles model and a local pair natural orbital based implementation for applications to larger systems
Authors: Huntington, Lee M. J.; Hansen, Andreas; Neese, Frank; Nooijen, Marcel
Date of Publication (YYYY-MM-DD): 2012-06-13
Title of Journal: Journal of Chemical Physics
Volume: 136
Issue / Number: 6
Sequence Number of Article: 064101
Document Type: Article
ID: 633574.0
Entries: 1-3  
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