A three-state effective Hamiltonian for symmetric cationic diarylmethanes

Journal of Chemical Physics

Volumn 136, Issue 23, 2012, Pages

  Olsen, Seth ^a   McKenzie, Ross H ^a  

^a UNIVERSITY OF QUEENSLAND   (Australia)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVE SPACES; BOND ORDERS; BONDING STRUCTURE; COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELDS; CYANINE DYES; DIABATIC; DIABATIC STATE; EFFECTIVE HAMILTONIAN; ELECTRON PAIR; HAMILTONIAN MATRIX ELEMENTS; LOW ENERGIES; MULTI REFERENCE; MULTI-STATE; PERTURBATION THEORY; RESONANCE STRUCTURE; SELF-CONSISTENT FIELD;

CURRENT VOLTAGE CHARACTERISTICS; ELECTRONIC STRUCTURE;

HAMILTONIANS;

EID: 84863737719     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4728158     Document Type: Article

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