The Jahn-Teller effect in the lower electronic states of benzene cation. I. Calculation of linear parameters for the e2g modes

Journal of Chemical Physics

Volumn 117, Issue 22, 2002, Pages 9991-10000

  Johnson, Philip M ^a  

^a STONY BROOK UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; ELECTRONIC STRUCTURE; GROUND STATE; MOLECULAR VIBRATIONS; POSITIVE IONS; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; SPECTROSCOPY;

BENZENE CATION; DENSITY FUNCTIONAL THEORY; ELECTRONIC STATES; HIGH RESOLUTION SPECTROSCOPY; JAHN-TELLER EFFECT; QUADRATIC COUPLING; VIBRATIONAL ENERGY STRUCTURE;

BENZENE;

EID: 0037045156     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1519006     Document Type: Article

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