Ab initio potential curves, dipole moments, and transition probabilities for the low‐lying states of arsenic oxide

1995 ◽  
Vol 103 (1) ◽  
pp. 234-244 ◽  
Author(s):  
Aleksey B. Alekseyev ◽  
Abani B. Sannigrahi ◽  
Heinz‐Peter Liebermann ◽  
Robert J. Buenker ◽  
Gerhard Hirsch
Keyword(s):  
Ab Initio ◽  
Transition Probabilities ◽  
Dipole Moments ◽  
Arsenic Oxide ◽  
Potential Curves

Rotational spectra, conformational structures and dipole moments of 2-(ethylthio)ethanol by jet-cooled FTMW and ab initio calculations

2004 ◽  
Vol 223 (1) ◽  
pp. 9-19 ◽  
Author(s):  
R.D. Suenram ◽  
D.F. Plusquellic ◽  
F.J. Lovas ◽  
A.R. Hight Walker ◽  
Qiang Liu ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Dipole Moments ◽  
Rotational Spectra

scholarly journals Intercombination Transitions between Levels X1Σg+ and A 3Πu in C2

1987 ◽  
Vol 120 ◽  
pp. 103-105
Author(s):  
J. Le Bourlot ◽  
E. Roueff
Keyword(s):  
Transition Probabilities ◽  
Energy Levels ◽  
Wave Functions ◽  
Spin Orbit Coupling ◽  
Energy Matrix ◽  
First Order ◽  
Emission Transition ◽  
Intercombination Transition ◽  
The One ◽  
Potential Curves

We present a new calculation of intercombination transition probabilities between levels X1Σg+ and a 3Πu of the C2 molecule. Starting from experimental energy levels, we calculate RKR potential curves using Leroy's Near Dissociation Expansion (NDE) method; these curves give us wave functions for all levels of interest. We then compute the energy matrix for the four lowest states of C2, taking into account Spin-Orbit coupling between a 3Πu and A 1Πu on the one hand and X 1Σ+g and b 3Σg− on the other. First order wave functions are then derived by diagonalization. Einstein emission transition probabilities of the Intercombination lines are finally obtained.

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