Relaxation processes of electronically excited states in polypyridine ruthenium complexes

1984 ◽  
Vol 23 (7) ◽  
pp. 983-986 ◽  
Author(s):  
William R. Cherry ◽  
Leslie J. Henderson
Keyword(s):  
Excited States ◽  
Ruthenium Complexes ◽  
Relaxation Processes ◽  
Electronically Excited States ◽  
Electronically Excited

Lifetimes and relaxation processes in electronically excited states of Na3

1988 ◽  
Vol 145 (3) ◽  
pp. 232-236 ◽  
Author(s):  
M. Broyer ◽  
G. Delacrétaz ◽  
Ni Guoquan ◽  
J.P. Wolf ◽  
L. Wöste
Keyword(s):  
Excited States ◽  
Relaxation Processes ◽  
Electronically Excited States ◽  
Electronically Excited

Benchmarking the performance of spin-component scaled CC2 in ground and electronically excited states

2008 ◽  
Vol 10 (28) ◽  
pp. 4119 ◽  
Author(s):  
Arnim Hellweg ◽  
Sarah A. Grün ◽  
Christof Hättig
Keyword(s):  
Excited States ◽  
Spin Component ◽  
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

Electron-impact cross sections involving electronically excited states inH2molecules:B1Σu+→I1Πgtransition

1996 ◽  
Vol 54 (1) ◽  
pp. 432-438 ◽  
Author(s):  
R. Celiberto ◽  
M. Capitelli ◽  
N. Durante ◽  
U. T. Lamanna
Keyword(s):  
Electron Impact ◽  
Excited States ◽  
Cross Sections ◽  
Electronically Excited States ◽  
Electronically Excited

Low-lying electronically excited states of cycl[3.3.3]azine, a bridged 12.pi.-perimeter

1980 ◽  
Vol 102 (19) ◽  
pp. 6068-6075 ◽  
Author(s):  
Werner Leupin ◽  
Jakob Wirz
Keyword(s):  
Excited States ◽  
Electronically Excited States ◽  
Electronically Excited

scholarly journals Theoretical Electronic and Rovibrational Studies for Anions of Interest to the DIBs

2013 ◽  
Vol 9 (S297) ◽  
pp. 344-348 ◽  
Author(s):  
R. C. Fortenberry
Keyword(s):  
Excited State ◽  
Excited States ◽  
State Of The Art ◽  
Spectroscopic Constants ◽  
Coupled Cluster ◽  
Electronic Excitations ◽  
Electronically Excited States ◽  
Coupled Cluster Theory ◽  
Electronically Excited ◽  
Enolate Anion

AbstractThe dipole-bound excited state of the methylene nitrile anion (CH2CN−) has been suggested as a candidate carrier for a diffuse interstellar band (DIB) at 803.8 nm. Its corresponding radical has been detected in the interstellar medium (ISM), making the existence for the anion possible. This work applies state-of-the-art ab initio methods such as coupled cluster theory to reproduce accurately the electronic excitations for CH2CN− and the similar methylene enolate anion, CH2CHO−. This same approach has been employed to indicate that 19 other anions may possess electronically excited states, five of which are valence in nature. Concurrently, in order to assist in the detection of these anions in the ISM, work has also been directed towards predicting vibrational frequencies and spectroscopic constants for these anions through the use of quartic force fields (QFFs). Theoretical rovibrational work on anions has thus far included studies of CH2CN−, C3H−, and is currently ongoing for similar systems.

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