General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: Theory and benchmarks

Journal of Chemical Physics

Volumn 139, Issue 13, 2013, Pages

  Epifanovsky, Evgeny ^a,b,c   Zuev, Dmitry ^a   Feng, Xintian ^a   Khistyaev, Kirill ^a   Shao, Yihan ^c   Krylov, Anna I ^a  

^a UNIVERSITY OF SOUTHERN CALIFORNIA   (United States)

^b UNIVERSITY OF CALIFORNIA   (United States)

^c NONE   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CLUSTER ANALYSIS; COMPUTATION THEORY; ITERATIVE METHODS; NUMERICAL METHODS;

CHOLESKY DECOMPOSITION; COMPUTATIONAL SAVINGS; DOUBLE SUBSTITUTION; ELECTRON ATTACHMENT; ELECTRON REPULSION INTEGRALS; EQUATION OF MOTION; PARALLEL PERFORMANCE; STORAGE REQUIREMENTS;

EQUATIONS OF MOTION;

EID: 84903362826     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4820484     Document Type: Article

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