Speeding up spin-component-scaled third-order pertubation theory with the chain of spheres approximation: The COSX-SCS-MP3 method

Molecular Physics

Volumn 111, Issue 9-11, 2013, Pages 1190-1195

  Izsák, Róbert ^a   Neese, Frank ^a  

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

Author keywords

M ller Plesset perturbation theory; RIJCOSX; SCS MP3; spin component scaling

Indexed keywords

CONVENTIONAL METHODS; HIGHER ORDER CORRELATION; MEDIUM-SIZED MOLECULES; PERTURBATION THEORY; RIJCOSX; SCS-MP3; SELF-CONSISTENT FIELD; SPIN-COMPONENT SCALING; CHAIN-OF-SPHERES; PERTUBATION THEORY; THIRD-ORDER;

ALGORITHMS; MOLECULES;

CHAINS;

EID: 84882456558     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.796071     Document Type: Article

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