The transition-state region of the O(3P)+O2( 3∑g-) potential energy surface

Journal of Chemical Physics

Volumn 121, Issue 12, 2004, Pages 5789-5793

  Schinke, Reinhard ^a   Fleurat Lessard, Paul ^b  

^a MAX PLANCK INSTITUTE FOR DYNAMICS AND SELF ORGANIZATION   (Germany)

^b UNIVERSITÉ DE LYON   (France)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COUPLINGS; DATA REDUCTION; DISSOCIATION; EIGENVALUES AND EIGENFUNCTIONS; ELECTRONIC STRUCTURE; OXYGEN; POLARIZATION; QUANTUM THEORY; VAN DER WAALS FORCES;

COMPLETE ACTIVE SPACE SELF-CONSISTENT FIELD (CASSCF); MULTIREFERENCE CORRELATION INTERACTION (MR-CI); POTENTIAL ENERGY SURFACES (PES); WAVE PACKET CALCULATIONS;

POTENTIAL ENERGY;

EID: 5444241917     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1784776     Document Type: Article

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