Analytic gradients for excited states in the coupled-cluster model CC2 employing the resolution-of-the-identity approximation

Journal of Chemical Physics

Volumn 119, Issue 10, 2003, Pages 5021-5036

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

^a UNIVERSITY OF KARLSRUHE   (Germany)

^b KARLSRUHE INSTITUTE OF TECHNOLOGY   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRONIC STRUCTURE; FUNCTIONS; GROUND STATE; INTEGRAL EQUATIONS; MATHEMATICAL MODELS; MOLECULAR VIBRATIONS;

ADIABATIC EXCITATION ENERGIES; ANALYTIC GRADIENTS; COUPLED-CLUSTER MODEL; DIAGNOSTIC MEASURES; ELECTRON REPULSION INTEGRALS; EXCITED STATES;

QUANTUM THEORY;

EID: 0141428905     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1597635     Document Type: Article

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