Theoretical study of the transition probabilities among the three lowest electronic states of the SeS molecule

1988 ◽  
Vol 64 (4) ◽  
pp. 725-738 ◽  
Author(s):  
J.R. Alvarez-Collado ◽  
R.J. Buenker
Keyword(s):  
Theoretical Study ◽  
Transition Probabilities ◽  
Electronic States

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.

First Principles Theoretical Study of 4H-SiC/SiO2Interfacial Electronic States on (0001), (000\bar1), and (11\bar20)

2008 ◽  
Vol 1 ◽  
pp. 061401 ◽  
Author(s):  
Eiichi Okuno ◽  
Toshio Sakakibara ◽  
Shoichi Onda ◽  
Makoto Itoh ◽  
Tsuyoshi Uda
Keyword(s):  
First Principles ◽  
Theoretical Study ◽  
Electronic States

Theoretical Study on the Low-Lying Electronic States of He 2 , He + 2 , and He ++ 2

2012 ◽  
Vol 57 (6) ◽  
pp. 1048-1052 ◽  
Author(s):  
Yun-Guang Zhang ◽  
Xin-Wei Zha ◽  
Tao Gao
Keyword(s):  
Theoretical Study ◽  
Electronic States

Theoretical study of the electronic states of calcium and calcium hydride

1983 ◽  
Vol 98 (5) ◽  
pp. 433-438 ◽  
Author(s):  
Gwanghi Jeung ◽  
Jean-Pierre Daudey ◽  
Jean-Paul Malrieu
Keyword(s):  
Theoretical Study ◽  
Electronic States ◽  
Calcium Hydride

scholarly journals Direct Evidence of Charge Transfer upon Anion Intercalation in Graphite Cathodes through New Electronic States: An Experimental and Theoretical Study of Hexafluorophosphate

2020 ◽  
Vol 32 (5) ◽  
pp. 2036-2043 ◽  
Author(s):  
Tristan de Boer ◽  
Jacob G. Lapping ◽  
Jeffrey A. Read ◽  
Timothy T. Fister ◽  
Mahalingam Balasubramanian ◽  
...  
Keyword(s):  
Charge Transfer ◽  
Direct Evidence ◽  
Theoretical Study ◽  
Electronic States
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