Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance

Journal of Chemical Physics

Volumn 135, Issue 23, 2011, Pages

  Fatehi, Shervin ^a   Alguire, Ethan ^a   Shao, Yihan ^b   Subotnik, Joseph E ^a  

^a UNIVERSITY OF PENNSYLVANIA   (United States)

^b Q Chem Inc   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATION THEORY; ELECTRONIC STRUCTURE; EXCITED STATES; NAPHTHALENE; QUANTUM CHEMISTRY;

CONFIGURATION INTERACTION SINGLES; DIRECT DIFFERENTIATION; ELECTRON TRANSLATION FACTORS; ELECTRONIC STRUCTURE THEORY; HELLMANN-FEYNMAN THEOREM; NAPHTHALENE DERIVATIVES; TRANSLATIONAL INVARIANCE; TRANSLATIONAL SYMMETRY;

COUPLINGS;

EID: 84555202675     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3665031     Document Type: Article

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