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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 |
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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 |
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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 |
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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 |
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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 |
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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 |
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