Global ab initio potential energy surfaces for the O2( 3Σg -) + O2( 3Σg -) interaction

Journal of Chemical Physics

Volumn 133, Issue 12, 2010, Pages

  Bartolomei, Massimiliano ^a   Carmona Novillo, Estela ^a   Hernández, Marta I ^a   Campos Martínez, Joś ^a   Hernández Lamoneda, Ramón ^b  

^a INSTITUTO DE FÍSICA FUNDAMENTAL   (Spain)

^b CENTRO DE INVESTIGACIONES QUÍMICAS   (Mexico)

Author keywords

[No Author keywords available]

Indexed keywords

EXPANSION; MOLECULAR PHYSICS; NUMERICAL METHODS; PERTURBATION TECHNIQUES; POTENTIAL ENERGY; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY;

AB INITIO POTENTIAL ENERGY SURFACE; GLOBAL POTENTIAL ENERGY SURFACES; INTEGRAL CROSS-SECTIONS; MULTIREFERENCE CONFIGURATION-INTERACTION CALCULATIONS; PERTURBATIVE TRIPLE EXCITATIONS; SECOND ORDER PERTURBATION THEORY; SECOND VIRIAL COEFFICIENTS; SPHERICAL HARMONIC EXPANSIONS;

CALCULATIONS;

EID: 77957745195     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3479395     Document Type: Article

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