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Volumn 130, Issue 20, 2009, Pages

Cholesky-decomposed densities in laplace-based second-order møller-plesset perturbation theory

Author keywords

[No Author keywords available]

Indexed keywords

ATOMIC ORBITAL; BASIS SETS; CHOLESKY; MULTIPOLE-BASED INTEGRAL ESTIMATES; ORDERS OF MAGNITUDE; PLESSET PERTURBATION THEORY; PRE-SELECTED; PSEUDO-DENSITY; SCALING BEHAVIOR; SECOND ORDERS; TWO-ELECTRON INTEGRALS; UPPER BOUND;

EID: 66749118273     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3142592     Document Type: Article
Times cited : (57)

References (32)
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    • A development version of Q-CHEM () was employed throughout on one processor of an Intel Xeon 3.0 GHz workstation (8 Gbytes memory), using always the frozen core approximation. Within Laplace-based schemes always five Laplace points and an internal and external screening threshold (Ref.) of 10-8 (unless stated otherwise) were chosen. RI calculations employed auxiliary basis sets of Weigend (Ref.) (for 6-31 G the SVP auxiliary basis was used).
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* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.