The accuracy of dipole moments from spin-component scaled CC2 in ground and electronically excited states

2011 ◽  
Vol 134 (6) ◽  
pp. 064103 ◽  
Author(s):  
Arnim Hellweg
Keyword(s):  
Excited States ◽  
Dipole Moments ◽  
Spin Component ◽  
Electronically Excited States ◽  
Electronically Excited

Dipole moments of triethyl(phenylthio) derivatives of group IVB elements in ground and electronically excited states

1975 ◽  
Vol 24 (8) ◽  
pp. 1757-1759
Author(s):  
S. G. Shevchenko ◽  
E. I. Brodskaya ◽  
Yu. L. Frolov ◽  
G. V. Kuznetsova ◽  
R. G. Mirskov ◽  
...  
Keyword(s):  
Excited States ◽  
Dipole Moments ◽  
Electronically Excited States ◽  
Electronically Excited ◽  
Derivatives Of

Dipole moments of triethyl(phenoxy) derivatives of Group IVB elements in ground and electronically excited states

1975 ◽  
Vol 24 (7) ◽  
pp. 1519-1521
Author(s):  
M. G. Voronkov ◽  
S. G. Shevchenko ◽  
�. I. Brodskaya ◽  
T. N. Bazhenova ◽  
A. M. Sklyanova ◽  
...  
Keyword(s):  
Excited States ◽  
Dipole Moments ◽  
Electronically Excited States ◽  
Electronically Excited ◽  
Derivatives Of

High-Fidelity First Principles Nonadiabaticity: Diabatization, Analytic Representation of Global Diabatic Potential Energy Matrices, and Quantum Dynamics

2021 ◽  
Author(s):  
Yafu Guan ◽  
Changjian Xie ◽  
David R. Yarkony ◽  
Hua Guo
Keyword(s):  
Potential Energy ◽  
Excited States ◽  
First Principles ◽  
Quantum Dynamics ◽  
Chemical Processes ◽  
High Fidelity ◽  
Nonadiabatic Dynamics ◽  
Electronically Excited States ◽  
Electronically Excited ◽  
Oppenheimer Approximation

Nonadiabatic dynamics, which goes beyond the Born-Oppenheimer approximation, has increasingly been shown to play an important role in chemical processes, particularly those involving electronically excited states. Understanding multistate dynamics requires...

Reactions of carbamides in electronically excited states

1978 ◽  
Vol 21 (11) ◽  
pp. 1513-1514
Author(s):  
Yu. A. Tishchenko ◽  
L. V. Orlovskaya ◽  
V. I. Danilova
Keyword(s):  
Excited States ◽  
Electronically Excited States ◽  
Electronically Excited
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