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On the theoretical prediction of fluorescence rates from first principles using the path integral approach
Authors: de Souza, Bernardo; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2018-01-21
Title of Journal: Journal of Chemical Physics
Volume: 148
Issue / Number: 3
Start Page: 034104-1
End Page: 034104-11
Sequence Number of Article: 034104
Document Type: Article
ID: 735569.0
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
Entries: 1-2  
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