New implementation of high-level correlated methods using a general block tensor library for high-performance electronic structure calculations

Journal of Computational Chemistry

Volumn 34, Issue 26, 2013, Pages 2293-2309

  Epifanovsky, Evgeny ^a,b   Wormit, Michael ^c,d   Kuś, Tomasz ^a   Landau, Arie ^a   Zuev, Dmitry ^a   Khistyaev, Kirill ^a   Manohar, Prashant ^a,e   Kaliman, Ilya ^a,f   Dreuw, Andreas ^d   Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c MASSEY UNIVERSITY   (New Zealand)

^d UNIVERSITY OF HEIDELBERG   (Germany)

^e BIRLA INSTITUTE OF TECHNOLOGY AND SCIENCE   (India)

^f PURDUE UNIVERSITY   (United States)

Author keywords

coupled cluster theory; electronic structure; quantum chemistry software; tensor algebra

Indexed keywords

COMPUTATIONAL SCIENCE; CONSTRUCTION METHOD; CORRELATED METHODS; COUPLED-CLUSTER THEORY; ELECTRONIC STRUCTURE CALCULATIONS; ELECTRONIC STRUCTURE THEORY; POINT GROUP SYMMETRY; TENSOR ALGEBRA;

ALGEBRA; ALGORITHMS; ELECTRONIC STRUCTURE; NUMERICAL METHODS; QUANTUM CHEMISTRY;

TENSORS;

EID: 84883741141     PISSN: 01928651     EISSN: 1096987X     Source Type: Journal    
DOI: 10.1002/jcc.23377     Document Type: Article

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