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Entries: 1-8  
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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
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
SparseMaps-A systematic infrastructure for reduced-scaling electronic structure methods. III. Linear-scaling multireference domain-based pair natural orbital N-electron valence perturbation theory
Authors: Guo, Yang; Sivalingam, Kantharuban; Valeev, Edward F.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2016
Title of Journal: Journal of Chemical Physics
Volume: 144
Issue / Number: 9
Start Page: 1
End Page: 17
Sequence Number of Article: 094111
Document Type: Article
ID: 720456.0
Sparse maps-A systematic infrastructure for reduced-scaling electronic structure methods. I. An efficient and simple linear scaling local MP2 method that uses an intermediate basis of pair natural orbitals
Authors: Pinski, Peter; Riplinger, Christoph; Valeev, Edward F.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2015
Title of Journal: Journal of Chemical Physics
Volume: 143
Issue / Number: 3
Start Page: 034108-1
End Page: 034108-17
Sequence Number of Article: 034108
Document Type: Article
ID: 713122.0
Geminal-spanning orbitals make explicitly correlated reduced-scaling coupled-cluster methods robust, yet simple.
Authors: Pavosevic, Fabijan; Neese, Frank; Valeev, Edward F.
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Journal of Chemical Physics
Volume: 141
Issue / Number: 5
Start Page: 054106 -1
End Page: 054106 -10
Document Type: Article
ID: 708870.0
What is the most efficient way to reach the canonical MP2 basis set limit?
Authors: Liakos, Dimitrios G.; Izsak, Robert; Valeev, Edward F.; Neese, Frank
Date of Publication (YYYY-MM-DD): 2013
Title of Journal: Molecular Physics
Volume: 111
Start Page: 2653
End Page: 2662
Document Type: Article
ID: 682080.0
Entries: 1-8  
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