Low-lying electronic states of the OH radical: Potential energy curves, dipole moment functions, and transition probabilities

2014 ◽  
Vol 65 (12) ◽  
pp. 2017-2022 ◽  
Author(s):  
X. Qin ◽  
S. D. Zhang
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Transition Probabilities ◽  
Electronic States ◽  
Potential Energy Curves ◽  
Oh Radical ◽  
Moment Functions

Theoretical study with dipole moment calculation of new electronic states of the molecule BF

2016 ◽  
Vol 5 (3) ◽  
Author(s):  
Sally Al Shawa ◽  
Nayla El-Kork ◽  
Ghassan Younes ◽  
Mahmoud Korek
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Theoretical Study ◽  
Electronic States ◽  
Potential Energy Curves

AbstractThe potential energy curves for the 45 singlet, triplet, and quintet electronic states in the representation

Long-range potentials and dipole moments of the CO electronic states converging to the ground dissociation limit

2020 ◽  
Vol 22 (21) ◽  
pp. 12058-12067
Author(s):  
Vladimir G. Ushakov ◽  
Vladimir V. Meshkov ◽  
Aleksander Yu. Ermilov ◽  
Andrey V. Stolyarov ◽  
Iouli E. Gordon ◽  
...  
Keyword(s):  
Perturbation Theory ◽  
Dipole Moment ◽  
Potential Energy ◽  
Long Range ◽  
First Principles ◽  
Dipole Moments ◽  
Electronic States ◽  
Dissociation Limit ◽  
Moment Functions ◽  
Range Perturbation

The potential-energy and dipole-moment functions for six electronic states are obtained both analytically, in the framework of long-range perturbation theory, and numerically, by using first-principles methods.

A theoretical study of the B′2Σ+–X2Σ+ band system in MgH and MgD

1979 ◽  
Vol 57 (8) ◽  
pp. 1178-1184 ◽  
Author(s):  
M. L. Sink ◽  
A. D. Bandrauk
Keyword(s):  
Dipole Moment ◽  
Theoretical Study ◽  
Transition Probabilities ◽  
Band System ◽  
Dipole Moments ◽  
Electronic States ◽  
Oscillator Strengths ◽  
Moment Functions ◽  
Condon Factors ◽  
Franck Condon

Ab initio Cl calculations of the transition moment for the B′2Σ+–X2Σ+ transition in MgH are reported. Theoretical values for the Franck–Condon factors, band strengths, band oscillator strengths, and transition probabilities have been computed for MgH and MgD. An analysis of our results for this system predicts many bands to be observable which have not yet been identified. Dipole moment functions and vibrationally averaged dipole moments are given for the X2Σ+, A2Π, and B′2Σ+ electronic states.

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