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Entries: 1-10  
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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
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
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
SparseMaps-A systematic infrastructure for reduced scaling electronic structure methods. V. Linear scaling explicitly correlated coupled-cluster method with pair natural orbitals
Authors: Pavosevic, Fabijan; Peng, Chong; Pinski, Peter; Riplinger, Christoph; Neese, Frank; Valeev, Edward F.
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Journal of Chemical Physics
Volume: 146
Issue / Number: 17
Start Page: 174108-1
End Page: 174108-11
Sequence Number of Article: 174108
Document Type: Article
ID: 733990.0
A new near-linear scaling, efficient and accurate, open-shell domain-based local pair natural orbital coupled cluster singles and doubles theory
Authors: Saitow, Masaaki; Becker, Ute; Riplinger, Christoph; Valeev, Edward F.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2017
Title of Journal: Journal of Chemical Physics
Volume: 146
Issue / Number: 16
Start Page: 164105-1
End Page: 164105-32
Sequence Number of Article: 164105
Document Type: Article
ID: 734265.0
Multilevel Approaches within the Local Pair Natural Orbital Framework
Authors: Sparta, Manuel; Retegan, Marius; Pinski, Peter; Riplinger, Christoph; Becker, Ute; 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: 3198
End Page: 3207
Document Type: Article
ID: 734278.0
SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. IV. Linear-scaling second-order explicitly correlated energy with pair natural orbitals
Authors: Pavosevic, Fabijan; Pinski, Peter; Riplinger, Christoph; Neese, Frank; Valeev, Edward F.
Date of Publication (YYYY-MM-DD): 2016-04-14
Title of Journal: Journal of Chemical Physics
Volume: 144
Issue / Number: 14
Start Page: 144109-1
End Page: 144109-14
Sequence Number of Article: 144109
Document Type: Article
ID: 722491.0
Sparse maps-A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory
Authors: Riplinger, Christoph; Pinski, Peter; Becker, Ute; Valeev, Edward F.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Journal of Chemical Physics
Volume: 144
Issue / Number: 2
Start Page: 024109-1
End Page: 024109-14
Sequence Number of Article: 024109
Document Type: Article
ID: 715715.0
Decomposition of Intermolecular Interaction Energies within the Local Pair Natural Orbital Coupled Cluster Framework
Authors: Schneider, Wolfgang B.; Bistoni, Giovanni; Sparta, Manuel; Saitow, Masaaki; Riplinger, Christoph; Auer, Alexander A.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Journal of Chemical Theory and Computation
Volume: 12
Issue / Number: 10
Start Page: 4778
End Page: 4792
Document Type: Article
ID: 722725.0
Entries: 1-10  
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