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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


Accelerating the coupled-cluster singles and doubles method using the chain-of-sphere approximation
Authors: Dutta, Achintya Kumar; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Molecular Physics
Volume: 116
Issue / Number: 11
Start Page: 1428
End Page: 1434
Document Type: Article
ID: 743342.0


A nearlinear scaling equation of motion coupled cluster method for ionized states
Authors: Dutta, Achintya Kumar; Saitow, Masaaki; Riplinger, Christoph; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of Chemical Physics
Volume: 148
Issue / Number: 24
Start Page: 244101-1
End Page: 244101-14
Sequence Number of Article: 244101
Document Type: Article
ID: 743343.0


Systematic High-Accuracy Prediction of Electron Affinities for Biological Quinones.
Authors: Schulz, Christine; Dutta, Achintya Kumar; Izsak, Robert; Pantazis, Dimitrios A.
Date of Publication (YYYY-MM-DD): 2018
Title of Journal: Journal of Computational Chemistry
Volume: 39
Issue / Number: 29
Start Page: 2439
End Page: 2451
Document Type: Article
ID: 743432.0


A simple scheme for calculating approximate transition moments within the equation of motion expectation value formalism
Authors: Dutta, Achintya Kumar; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Journal of Chemical Physics
Volume: 146
Issue / Number: 21
Start Page: 214111-1
End Page: 214111-14
Sequence Number of Article: 214111
Document Type: Article
ID: 733862.0


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


Speeding up equation of motion coupled cluster theory with the chain of spheres approximation
Authors: Dutta, Achintya Kumar; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Journal of Chemical Physics
Volume: 144
Issue / Number: 3
Start Page: 034102-1
End Page: 034102-13
Sequence Number of Article: 034102
Document Type: Article
ID: 713878.0


Towards a pair natural orbital coupled cluster method for excited states.
Authors: Dutta, Achintya Kumar; Neese, Frank; Izsak, Robert
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: The Journal of Chemical Physics
Volume: 145
Issue / Number: 3
Start Page: 034102
End Page: 034102
Document Type: Article
ID: 722520.0