On the determination of optimized, fully quadratic, coupled state quasidiabatic Hamiltonians for determining bound state vibronic spectra

Journal of Chemical Physics

Volumn 130, Issue 23, 2009, Pages

  Zhu, Xiaolei ^a   Yarkony, David R ^a  

^a JOHNS HOPKINS UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; ATOMIC-ORBITAL BASIS; BOUND STATE; CONFIGURATION STATE FUNCTIONS; CONICAL INTERSECTION; COUPLED ELECTRONIC STATE; COUPLED STATE; MULTI REFERENCE CONFIGURATION INTERACTIONS; NORMAL EQUATIONS; PSEUDONORMAL; PYRROLYL; QUADRATIC MODELS; TEST CASE; TRIPLE-ZETA QUALITY; VIBRONIC COUPLING; VIBRONIC SPECTRA;

ELECTRONIC STATES; SULFUR COMPOUNDS;

HAMILTONIANS;

EID: 67649097290     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3155392     Document Type: Article

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