Local CC2 response method for triplet states based on Laplace transform: Excitation energies and first-order properties

Journal of Chemical Physics

Volumn 133, Issue 24, 2010, Pages

  Freundorfer, Katrin ^a   Kats, Daniel ^a   Korona, Tatiana ^b   Schütz, Martin ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

^b UNIVERSITY OF WARSAW   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

APPLICATION EXAMPLES; CHARGE TRANSFER STATE; EFFECTIVE EQUATIONS; EIGENVALUE PROBLEM; EXCITED TRIPLET STATE; FIRST-ORDER; FITTING METHOD; LAPLACE TRANSFORM TECHNIQUES; LOCAL APPROXIMATION; MOLECULAR SYSTEMS; MULTI STATE; ON-THE-FLY; REFERENCE VALUES; REPULSION INTEGRALS; SINGLET STATE; SOLAR-CELL APPLICATIONS; TEST MOLECULES; TRANSITION STRENGTHS; TRIPLET STATE;

CHARGE TRANSFER; EIGENVALUES AND EIGENFUNCTIONS; EXCITATION ENERGY; LAGRANGE MULTIPLIERS; LAPLACE TRANSFORMS; THIOPHENE;

EXCITED STATES;

EID: 78650873478     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3506684     Document Type: Article

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