Low-lying electronic states and their nonradiative deactivation of thieno[3,4-b]pyrazine: An ab initio study

Journal of Chemical Physics

Volumn 137, Issue 22, 2012, Pages

  Guo, Xugeng ^a   Cao, Zexing ^a  

^a XIAMEN UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRONIC DENSITY OF STATES; ELECTRONIC STATES; EXCITATION ENERGY; GROUND STATE; HYDROGEN BONDS; LARGE SCALE SYSTEMS; NUMERICAL METHODS; PERTURBATION TECHNIQUES;

COMPLETE ACTIVE SPACE SELF CONSISTENT FIELDS; COUPLED-CLUSTER SINGLES; LOW LYING ELECTRONIC STATE; LOW-LYING EXCITED STATE; NON-RADIATIVE DEACTIVATION; PERTURBATIVE TRIPLE EXCITATIONS; SECOND ORDER PERTURBATION THEORY; VERTICAL EXCITATION ENERGY;

EXCITED STATES;

EID: 84871243288     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4770229     Document Type: Article

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