Construction of electronic diabatic states within a molecular orbital scheme

Journal of Chemical Physics

Volumn 118, Issue 12, 2003, Pages 5356-5363

  Troisi, Alessandro ^a   Orlandi, Giorgio ^a  

^a UNIVERSITY OF BOLOGNA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; CALCULATIONS; EIGENVALUES AND EIGENFUNCTIONS; GROUND STATE; HAMILTONIANS; INTEGRAL EQUATIONS; MOLECULAR SPECTROSCOPY; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; OPTIMIZATION; PARTIAL DIFFERENTIAL EQUATIONS; QUANTUM THEORY;

ADIABATIC WAVE FUNCTION; ELECTRONIC DIABATIC STATE; MOLECULAR ORBITAL-SELF-CONSISTENT FIELD-CONFIGURATION INTERACTION; POLYATOMIC MOLECULE;

MOLECULAR DYNAMICS;

EID: 0037461004     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1555118     Document Type: Article

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