Efficient use of the correlation consistent basis sets in resolution of the identity MP2 calculations

Journal of Chemical Physics

Volumn 116, Issue 8, 2002, Pages 3175-3183

  Weigend, Florian ^a   Köhn, Andreas ^b   Hättig, Christof ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

^b UNIVERSITY OF KARLSRUHE   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CONVERGENCE OF NUMERICAL METHODS; CORRELATION METHODS; ELECTRON ENERGY LEVELS; EXTRAPOLATION; OPTIMIZATION; PERTURBATION TECHNIQUES;

BASIS SETS; MOLECULAR ORBITALS (MO);

SET THEORY;

EID: 0037154597     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1445115     Document Type: Article

References (21)