Efficient distance-including integral screening in linear-scaling Møller-Plesset perturbation theory

Journal of Chemical Physics

Volumn 138, Issue 1, 2013, Pages

  Maurer, Simon A ^a   Lambrecht, Daniel S ^a,b   Kussmann, Jörg ^a   Ochsenfeld, Christian ^a  

^a UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS FUNCTIONS; BENCHMARK CALCULATIONS; BENCHMARK SYSTEM; COMPUTATIONAL EFFORT; HOMO-LUMO GAPS; INTEGRAL VALUES; LINEAR SCALING; MOLECULAR SIZE; MULTIPOLE EXPANSIONS; PARALLELIZATIONS; PERTURBATION THEORY; PRE-SELECTION; SCALING BEHAVIOR; TWO-ELECTRON INTEGRALS;

ATOMS; ELECTRONIC STRUCTURE;

ESTIMATION;

DNA;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; NUCLEIC ACID HYBRIDIZATION; THEORETICAL MODEL;

DNA; MODELS, MOLECULAR; MODELS, THEORETICAL; NUCLEIC ACID HYBRIDIZATION;

MLCS; MLOWN;

EID: 84872076173     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4770502     Document Type: Article

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