The singlet electronic states of pyrrole: A theoretical study by both ab initio multi-reference configuration interaction methods and time-dependent density functional theory and a reconsideration of the experimental VUV spectral data

Molecular Physics

Volumn 101, Issue 15, 2003, Pages 2391-2408

  Palmer, M H ^a   Wilson, P J ^a  

^a UNIVERSITY OF EDINBURGH   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; MOLECULES; NITROGEN COMPOUNDS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; ULTRAVIOLET SPECTROSCOPY;

AB INITIO MULTIREFERENCE CONFIGURATION INTERACTION METHODS; ELECTRONIC STATES; PYRROLE; TIME DEPENDENT DENSITY FUNCTIONAL THEORY;

MOLECULAR PHYSICS;

EID: 1542376556     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/0026897031000108050     Document Type: Article

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