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Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]
Authors: Guo, Yang; Riplinger, Christoph; Becker, Ute; Liakos, Dimitrios; Minenkov, Yury; Cavallo, Luigi; Neese, Frank
Date of Publication (YYYY-MM-DD): 2018-01-07
Title of Journal: Journal of Chemical Physics
Volume: 148
Issue / Number: 1
Start Page: 011101-1
End Page: 011101-5
Sequence Number of Article: 011101
Document Type: Article
ID: 735575.0
Treating Subvalence Correlation Effects in Domain Based Pair Natural Orbital Coupled Cluster Calculations: An Out-of-the-Box Approach.
Authors: Bistoni, Giovanni; Riplinger, Christoph; Minenkov, Yury; Cavallo, Luigi; Auer, Alexander A.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Journal of Chemical Theory and Computation
Volume: 13
Issue / Number: 7
Start Page: 3220
End Page: 3227
Document Type: Article
ID: 733838.0
Pair natural orbital and canonical coupled cluster reaction enthalpies involving light to heavy alkali and alkaline earth metals: the importance of sub-valence correlation
Authors: Minenkov, Yury; Bistoni, Giovanni; Riplinger, Christoph; Auer, Alexander A.; Neese, Frank; Cavallo, Luigi
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Physical Chemistry Chemical Physics
Volume: 19
Issue / Number: 14
Start Page: 9374
End Page: 9391
Document Type: Article
ID: 733983.0
Entries: 1-3  
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