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

Journal of Chemical Physics

Volumn 143, Issue 3, 2015, Pages

  Pinski, Peter ^a   Riplinger, Christoph ^a   Valeev, Edward F ^b   Neese, Frank ^a  

^a MAX PLANCK INSTITUTE FOR CHEMICAL ENERGY CONVERSION   (Germany)

^b VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; ELECTRONIC STRUCTURE; FUNCTIONS; MATHEMATICAL TRANSFORMATIONS; MOLECULAR ORBITALS; QUANTUM CHEMISTRY; TENSORS; WAVE FUNCTIONS;

BENCHMARK CALCULATIONS; COMPRESSED SPARSE ROW; COMPUTATIONAL EFFORT; COMPUTER IMPLEMENTATIONS; ELEMENTARY OPERATIONS; LINEAR SCALING TRANSFORMATIONS; MAP REPRESENTATIONS; SPARSE REPRESENTATION;

LINEAR TRANSFORMATIONS;

EID: 84937509697     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4926879     Document Type: Article

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