New analytical model for the ozone electronic ground state potential surface and accurate ab initio vibrational predictions at high energy range

Journal of Chemical Physics

Volumn 139, Issue 13, 2013, Pages

  Tyuterev, Vladimir G ^a   Kochanov, Roman V ^a,b   Tashkun, Sergey A ^b   Holka, Filip ^c   Szalay, Péter G ^d  

^a CNRS   (France)

^b V E ZUEV INSTITUTE OF ATMOSPHERIC OPTICS   (Russian Federation)

^c SLOVAK UNIVERSITY OF TECHNOLOGY   (Slovakia)

^d EÖTVÖS LORÁND UNIVERSITY   (Hungary)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; DISSOCIATION; ELECTRONIC STATES; ELECTRONIC STRUCTURE; FORECASTING; GROUND STATE; MOLECULAR PHYSICS; OZONE; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB-INITIO ELECTRONIC STRUCTURE CALCULATIONS; DISSOCIATION ENERGIES; DISSOCIATION THRESHOLD; ELECTRONIC GROUND STATE; GROUND ELECTRONIC STATE; HIGH-RESOLUTION SPECTRA; MINIMUM ENERGY PATHS; ROOT MEAN SQUARE DEVIATIONS;

VIBRATION ANALYSIS;

EID: 84903362221     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4821638     Document Type: Article

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