Analytical potential energy surfaces for N3 low-lying doublet states

Journal of Chemical Physics

Volumn 130, Issue 4, 2009, Pages

  Wang, Zhi ^a   Kerkines, Ioannis S K ^a   Morokuma, Keiji ^a   Zhang, Peng ^b  

^a EMORY UNIVERSITY   (United States)

^b HARVARD SMITHSONIAN CENTER FOR ASTROPHYSICS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

INTERSECTIONS; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY;

AB-INITIO; ADIABATIC POTENTIAL ENERGY SURFACES; BASIS FUNCTIONS; BASIS SETS; CONICAL INTERSECTIONS; DIABATIC COUPLINGS; DOUBLET STATE; ENERGY SURFACES; NEW STRATEGIES; RMS ERRORS; SINGLE-POINT CALCULATIONS; SQUARE ROOTS; STATIONARY POINTS; TWO STATE;

SWITCHING FUNCTIONS;

EID: 59349094590     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3068742     Document Type: Article

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