Time-dependent quantum wave-packet description of the 1πσ* photochemistry of phenol

Journal of Chemical Physics

Volumn 122, Issue 22, 2005, Pages

  Lan, Zhenggang ^a   Domcke, Wolfgang ^a   Vallet, Vaĺrie ^b   Sobolewski, Andrzej L ^c   Mahapatra, Susanta ^d  

^a TECHNICAL UNIVERSITY OF MUNICH   (Germany)

^b UNIVERSITÉ DES SCIENCES ET TECHNOLOGIES DE LILLE   (France)

^c INSTITUTE OF PHYSICS   (Poland)

^d UNIVERSITY OF HYDERABAD   (India)

Author keywords

[No Author keywords available]

Indexed keywords

HIGHEST OCCUPIED MOLECULAR ORBITAL (HOMO); LOWEST UN-OCCUPIED MOLECULAR ORBITAL (LUMO); NANOADIABATIC TRANSITIONS; POTENTIAL ENERGY (PE) SURFACES; TIME-DEPENDENT QUANTUM WAVE-PACKET;

DEGREES OF FREEDOM (MECHANICS); DIFFUSION; ELECTRONIC STRUCTURE; FLUORESCENCE; GROUND STATE; HYDROGEN; MATHEMATICAL MODELS; MATHEMATICAL TRANSFORMATIONS; MATRIX ALGEBRA; MOLECULAR BEAMS; PHOTOCHEMICAL REACTIONS; PHOTODISSOCIATION; POTENTIAL ENERGY; QUANTUM THEORY;

PHENOLS;

EID: 20544433844     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1906218     Document Type: Article

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