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Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies
Authors: Dutta, Achintya; Nooijen, Marcel; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2018-01
Title of Journal: Journal of Chemical Theory and Computation
Volume: 14
Issue / Number: 1
Start Page: 72
End Page: 91
Document Type: Article
ID: 735571.0
Exploring the Accuracy of a Low Scaling Similarity Transformed Equation of Motion Method for Vertical Excitation Energies.
Authors: Dutta, Achintya Kumar; Nooijen, Marcel; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of Chemical Theory and Computation
Volume: 14
Issue / Number: 1
Start Page: 72
End Page: 91
Document Type: Article
ID: 735206.0
Automatic active space selection for the similarity transformed equations of motion coupled cluster method
Authors: Dutta, Achintya Kumar; Nooijen, Marcel; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Journal of Chemical Physics
Volume: 146
Issue / Number: 7
Start Page: 074103-1
End Page: 074103-12
Sequence Number of Article: 074103
Document Type: Article
ID: 733863.0
Communication: Multireference equation of motion coupled cluster: A transform and diagonalize approach to electronic structure.
Authors: Nooijen, Marcel; Demel, Ondřej; Datta, Dipayan; Kong, Liguo; Shamasundar, K. R.; Lotrich, V.; Huntington, Lee M.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Journal of Chemical Physics
Volume: 140
Issue / Number: 8
Start Page: 081102-1
End Page: 081102-5
Sequence Number of Article: 081102
Document Type: Article
ID: 708702.0
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: 1-5  
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