Ab initio calculation and quasi-classical dynamics study of the two lowest potential energy surfaces of the O(1D) + HBr system

International Journal of Quantum Chemistry

Volumn 86, Issue 1, 2001, Pages 79-89

  Hernndez, Mara Luz ^a   Alvario, Jos Mara ^a,b   Lagan, Antonio ^a   Rosi, Marzio ^a   Sgamellotti, Antonio ^a  

^a UNIVERSITY OF SALAMANCA   (Spain)

^b UNIVERSITY OF PERUGIA   (Italy)

Author keywords

Ab initio electronic structure calculations; Chemistry of the atmosphere; Electronically excited reagents; Molecular beam experiments; Quasiclassical nuclear dynamics

Indexed keywords

ATMOSPHERIC CHEMISTRY; ELECTRON ENERGY LEVELS; MOLECULAR BEAMS; POLYNOMIALS; POTENTIAL ENERGY;

MULTIREFERENCE CONFIGURATION INTERACTION (MRCI); POTENTIAL ENERGY SURFACES (PES);

ELECTRONIC STRUCTURE;

EID: 0035808713     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1608     Document Type: Conference Paper

References (34)