Geometry optimizations with the coupled-cluster model CC2 using the resolution-of-the-identity approximation

Journal of Chemical Physics

Volumn 118, Issue 17, 2003, Pages 7751-7761

  Hättig, Christof ^a  

^a KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; COMPUTER SIMULATION; GROUND STATE; HAMILTONIANS; HARMONIC GENERATION; LAGRANGE MULTIPLIERS; MATHEMATICAL TRANSFORMATIONS; MOLECULAR DYNAMICS; MOLECULAR ORIENTATION; ORGANIC COMPOUNDS; PHASE EQUILIBRIA;

ELECTRON REPULSION INTEGRALS; ELECTRONIC GROUND STATE; MOLLER-PLESSET PERTURBATION THEORY;

MOLECULAR STRUCTURE;

EID: 0038813858     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1564061     Document Type: Article

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