Home News About Us Contact Contributors Disclaimer Privacy Policy Help FAQ

Home
Search
Quick Search
Advanced
Fulltext
Browse
Collections
Persons
My eDoc
Session History
Login
Name:
Password:
Documentation
Help
Support Wiki
Direct access to
document ID:


          Display Documents


Institute:
Collection:
Print in Citation style Print version     Display:
Sort by: Display records with Fulltext only
Entries: 1-7  
 Basket 
Communication: Exact analytical derivatives for the domain-based local pair natural orbital MP2 method (DLPNO-MP2)
Authors: Pinski, Peter; Neese, Frank
Date of Publication (YYYY-MM-DD): 2018-01-21
Title of Journal: Journal of Chemical Physics
Volume: 148
Issue / Number: 3
Start Page: 031101-1
End Page: 031101-5
Sequence Number of Article: 031101
Document Type: Article
ID: 735581.0
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
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
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
Reactive Many-Body Expansion for a Protonated Water Cluster.
Authors: Pinski, Peter; Csanyi, Gabor
Date of Publication (YYYY-MM-DD): 2014
Title of Journal: Journal of Chemical Theory and Computation
Volume: 10
Issue / Number: 1
Start Page: 68
End Page: 75
Document Type: Article
ID: 708877.0
Entries: 1-7  
The scope and number of records on eDoc is subject to the collection policies defined by each institute - see "info" button in the collection browse view.