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Entries: 1-6  
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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 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
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
Efficient implementation of the analytic second derivatives of Hartree-Fock and hybrid DFT energies: a detailed analysis of different approximations
Authors: Bykov, Dmytro; Petrenko, Taras; Izsak, Robert; Kossmann, Simone; Becker, Ute; Valeev, Edward; Neese, Frank
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Molecular Physics
Volume: 113
Issue / Number: 13-14
Start Page: 1961
End Page: 1977
Document Type: Article
ID: 712792.0
Efficient, approximate and parallel Hartree-Fock and hybrid DFT calculations. A 'chain-of-spheres' algorithm for the Hartree-Fock exchange
Authors: Neese, Frank; Wennmohs, Frank; Hansen, Andreas; Becker, Ute
Date of Publication (YYYY-MM-DD): 2009
Title of Journal: Chemical Physics
Volume: 356
Start Page: 98
End Page: 109
Document Type: Article
ID: 460477.0
Entries: 1-6  
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