scholarly journals Femtosecond polarization resolved spectroscopy: A tool for determination of the three-dimensional orientation of electronic transition dipole moments and identification of configurational isomers

2009 ◽  
Vol 131 (12) ◽  
pp. 124511 ◽  
Author(s):  
Moritz Theisen ◽  
Martin Linke ◽  
Max Kerbs ◽  
Henk Fidder ◽  
Mohamed El-Amine Madjet ◽  
...  
Keyword(s):  
Electronic Transition ◽  
Dipole Moments ◽  
Three Dimensional ◽  
Transition Dipole ◽  
Transition Dipole Moments

scholarly journals Metastable One-Electron Excited States of Charged Fullerenes

2019 ◽  
Vol 2019 ◽  
pp. 1-4
Author(s):  
Rafael V. Arutyunyan ◽  
Alexander D. Vasiliev ◽  
Yuri N. Obukhov ◽  
Alexander V. Osadchy
Keyword(s):  
Density Functional ◽  
Dipole Moments ◽  
Three Dimensional ◽  
Density Functional Theory Method ◽  
Transition Dipole ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Transition Dipole Moments ◽  
Quantum Transitions ◽  
Wavelength Radiation

We study the spontaneous emission processes for the quantum transitions between electron states of a charged C60 fullerene. Lifetimes for the transitions between the volume-localized electron levels and the surface-localized electron levels are evaluated and compared with the transitions between two surface-localized electron levels. We find the lifetimes by computing the transition dipole moments on the basis of the numeric calculations of the three-dimensional electron wave functions of a charged fullerene by making use of the density functional theory method implemented in the QuantumEspresso package. We show that the lifetime of a volume-localized level is of order of 1 μs for a transition energy of about 5 eV. This suggests to consider the possibility of using charged fullerenes for generating short-wavelength radiation, including coherent radiation in this range.

Long-range behavior of the transition dipole moments of heteronuclear dimers XY (X, Y = Li, Na, K, Rb) based on ab initio calculations

2018 ◽  
Vol 20 (3) ◽  
pp. 1889-1896 ◽  
Author(s):  
E. A. Bormotova ◽  
S. V. Kozlov ◽  
E. A. Pazyuk ◽  
A. V. Stolyarov
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States ◽  
Long Range ◽  
Internuclear Distance ◽  
Electronic Transition ◽  
Dipole Moments ◽  
Transition Dipole ◽  
Transition Dipole Moments

The electronic transition dipole moments between the ground and excited states converging to the lowest three dissociation limits of heteronuclear dimers XY (X, Y = Li, Na, K, Rb) were ab initio calculated and asymptotically analyzed at large internuclear distance.

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