Vibronic Energy Levels of a Linear Triatomic Molecule in a Degenerate Electronic State: a Unified Treatment of the Renner-Teller Effect

2007 ◽  
pp. 117-180 ◽  
Author(s):  
John M. Brown ◽  
Flemming Jørgensen
Keyword(s):  
Electronic State ◽  
Energy Levels ◽  
Teller Effect ◽  
Triatomic Molecule

Ab Initio Study of the Renner-Teller Effect in the X2Πu Electronic State of B2H+2

1995 ◽  
Vol 171 (2) ◽  
pp. 494-503 ◽  
Author(s):  
M. Peric ◽  
B. Engels ◽  
S.D. Peyerimhoff
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Teller Effect ◽  
Ab Initio Study

scholarly journals On the relationship between molecular spectroscopy and statistical mechanics: Calculation of vibrational-rotational energy levels and partition functions in the ground electronic state of BC2

2011 ◽  
Vol 76 (4) ◽  
pp. 557-573 ◽  
Author(s):  
Milan Sencanski ◽  
Ljiljana Stojanovic ◽  
Stanka Jerosimic ◽  
Jelena Radic-Peric ◽  
Miljenko Peric
Keyword(s):  
Energy Spectrum ◽  
Ab Initio Calculations ◽  
Electronic State ◽  
Molecular Spectroscopy ◽  
Energy Levels ◽  
Rotational Energy ◽  
Ground Electronic State ◽  
Partition Functions ◽  
Bending Vibrations ◽  
The Relationship

The results of extensive ab initio calculations of the vibrational- rotational energy spectrum in the ground electronic state of the BC2 molecule are presented. These data were employed to discuss the evaluation of the corresponding partition functions. Special attention was paid to the problems connected with the calculation of the partition functions for the bending vibrations and rotations about the axis corresponding to the smallest moment of inertia.

Ab initio investigation of the Renner–Teller effect in the ground electronic state of HCCD+

1999 ◽  
Vol 110 (10) ◽  
pp. 4783-4787 ◽  
Author(s):  
M. Perić ◽  
B. Ostojić ◽  
J. Radić-Perić
Keyword(s):  
Ab Initio ◽  
Electronic State ◽  
Teller Effect ◽  
Ground Electronic State
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