N(4S/2D)+N2: Accurate ab initio-based DMBE potential energy surfaces and surface-hopping dynamics

Journal of Chemical Physics

Volumn 137, Issue 22, 2012, Pages

  Galvao B R L ^a   Caridade, P J S B ^a   Varandas, A J C ^a  

^a UNIVERSITY OF COIMBRA   (Portugal)

Author keywords

[No Author keywords available]

Indexed keywords

COLLISIONAL PROCESS; DIABATIC; ELECTRONIC STRUCTURE CALCULATIONS; EXCHANGE REACTION; GEOMETRICAL PHASE; NON-ADIABATIC EFFECT; SURFACE HOPPING;

CALCULATIONS; ELECTRONIC STRUCTURE; QUANTUM CHEMISTRY; RATE CONSTANTS;

POTENTIAL ENERGY SURFACES;

EID: 84871219287     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4737858     Document Type: Article

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