Full-dimensional diabatic potential energy surfaces including dissociation: The 2 e ″ state of NO3

Journal of Chemical Physics

Volumn 140, Issue 22, 2014, Pages

  Eisfeld, Wolfgang ^a   Vieuxmaire, Olivier ^b,c   Viel, Alexandra ^b  

^a BIELEFELD UNIVERSITY   (Germany)

^b UNIVERSITÉ DE RENNES 1   (France)

^c CNRS   (France)

Author keywords

[No Author keywords available]

Indexed keywords

DISSOCIATION; PHOTOELECTRON SPECTROSCOPY; QUANTUM CHEMISTRY; STOCHASTIC MODELS; STOCHASTIC SYSTEMS;

DIABATIC POTENTIALS; DYNAMICAL CALCULATIONS; EXPANSION COEFFICIENTS; HIGH-DIMENSIONAL PROBLEMS; HIGH-LEVEL AB INITIO CALCULATIONS; STOCHASTIC APPROACH; TIME-DEPENDENT HARTREE METHOD; WAVE PACKET PROPAGATION;

POTENTIAL ENERGY SURFACES;

EID: 84902436570     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4879655     Document Type: Article

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