Theoretical Studies of Electronically Excited States of Molecular Systems Using Multiconfigurational Perturbation Theory

1999 ◽  
Vol 32 (2) ◽  
pp. 137-144 ◽  
Author(s):  
Björn O. Roos
Keyword(s):  
Perturbation Theory ◽  
Excited States ◽  
Theoretical Studies ◽  
Electronically Excited States ◽  
Molecular Systems ◽  
Electronically Excited

Theoretical Studies of Collision-induced Energy Transfer in Electronically Excited States

1990 ◽  
Vol 94 (11) ◽  
pp. 1253-1262 ◽  
Author(s):  
M. H. Alexander ◽  
A. Berning ◽  
A. Degli Esposti ◽  
A. Joerg ◽  
A. Kliesch ◽  
...  
Keyword(s):  
Energy Transfer ◽  
Excited States ◽  
Theoretical Studies ◽  
Electronically Excited States ◽  
Electronically Excited

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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