A full-dimensional coupled-surface study of the photodissociation dynamics of ammonia using the multiconfiguration time-dependent Hartree method

Journal of Chemical Physics

Volumn 135, Issue 4, 2011, Pages

  Giri, Kousik ^a   Chapman, Emma ^b   Sanz, Cristina Sanz ^b   Worth, Graham ^b  

^a UNIVERSITY OF SHEFFIELD   (United Kingdom)

^b UNIVERSITY OF BIRMINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO POTENTIAL ENERGY SURFACE; BRANCHING RATIO; EXPERIMENTAL OBSERVATION; FULLY-COUPLED; GROUND ELECTRONIC STATE; HIGH-DIMENSIONAL; HYDROGEN ATOMS; ISOTOPOMERS; JACOBI COORDINATES; MODEL REPRESENTATION; MODEL SYSTEM; MULTICONFIGURATION; MULTICONFIGURATION TIME-DEPENDENT HARTREE METHOD; NON-ADIABATIC; NON-ADIABATIC COUPLING; PHOTODISSOCIATION DYNAMICS; QUANTUM MECHANICAL COMPUTATIONS; REDUCED-DIMENSIONAL; TIME-DEPENDENT; VIBRATIONAL STATE;

ABSORPTION; ABSORPTION SPECTRA; CALCULATIONS; CHEMICAL REACTIONS; ELECTRON ENERGY LOSS SPECTROSCOPY; ELECTRONIC STATES; LIGHT ABSORPTION; QUANTUM CHEMISTRY; QUANTUM THEORY;

PHOTODISSOCIATION;

EID: 79961081782     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3614038     Document Type: Article

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