Accurate ab initio potential energy surfaces for the 3A ′′ and 3A ′ electronic states of the O( 3P)+HBr system

Journal of Chemical Physics

Volumn 136, Issue 17, 2012, Pages

  De Oliveira Filho, Antonio G S ^a   Ornellas, Fernando R ^a   Peterson, Kirk A ^b  

^a UNIVERSITY OF SÃO PAULO   (Brazil)

^b WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO POTENTIAL ENERGY SURFACE; ADIABATIC BARRIER; BARRIER HEIGHTS; BENCHMARK CALCULATIONS; CAS-SCF; COMPLETE BASIS SETS; CONFIGURATION SPACE; CORE-VALENCE CORRELATION; COUPLED CLUSTERS; HIGH-ORDER; MANY-BODY EXPANSION; REPRODUCING KERNEL HILBERT SPACES; SADDLE POINT; SCALAR-RELATIVISTIC EFFECTS; SPIN-ORBIT EFFECTS; THREE-BODY POTENTIAL; TRANSITION STATE; VAN DER WAALS;

ELECTRONIC STATES; POTENTIAL ENERGY SURFACES; QUANTUM CHEMISTRY; VAN DER WAALS FORCES;

CALCULATIONS;

EID: 84862889361     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4705428     Document Type: Article

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