Potential energy surface and ro-vibrational energies of Ne3+ in the ground electronic state

International Journal of Quantum Chemistry

Volumn 90, Issue 3, 2002, Pages 1232-1239

  Indelka, Milan ^a   Pirko, Vladimír ^a,b   Urban, Jan ^b,c   Mach, Pavel ^b,c   Leszczynski, Jerzy ^b  

^a J HEYROVSKÝ INSTITUTE OF PHYSICAL CHEMISTRY   (Czech Republic)

^b Department of Chemistry ^*  (United States)

^c Physics and Informatics   (Slovakia)

Author keywords

Multireference many body perturbation theory; Ne3+ ro vibrational energy; PES fit; Rare gas ionic clusters; Sutcliffe Tennyson approach; Yamashita Morokuma Leforestier approach

Indexed keywords

GROUND STATE; HAMILTONIANS; MOLECULAR VIBRATIONS; NEON; PERTURBATION TECHNIQUES; POSITIVE IONS; POTENTIAL ENERGY;

POTENTIAL ENERGY SURFACES (PES);

ELECTRONIC STRUCTURE;

EID: 0037027434     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.10329     Document Type: Article

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