Use of the normal coordinates in variational and perturbative ab initio handling of the vibronic and spin-orbit couplings in Π electronic states of linear tetra-atomic molecules

International Journal of Quantum Chemistry

Volumn 92, Issue 3, 2003, Pages 276-293

  Perić, Miljenko ^a   Stevanović, Ljiljana ^b  

^a UNIVERSITY OF BELGRADE   (Serbia)

^b UNIVERSITY OF NI   (Serbia)

Author keywords

Ab initio calculations; Perturbation theory; Renner Teller effect; Spin orbit coupling; Tetra atomic molecules; Variational method

Indexed keywords

ALGORITHMS; ATOMIC PHYSICS; HAMILTONIANS; MOLECULAR VIBRATIONS; NUMERICAL METHODS; QUANTUM THEORY;

LINEAR EQUILIBRIUM GEOMETRY; LINEAR TETRA ATOMIC MOLECULES; SPIN ORBIT COUPLINGS;

ELECTRONIC STRUCTURE;

EID: 0037420402     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10484     Document Type: Article

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