Electronic transition dipole moment and radiative lifetime calculations of lithium dimer ion-pair states

2019 ◽  
Vol 355 ◽  
pp. 1-7 ◽  
Author(s):  
Aydin Sanli ◽  
Xinhua Pan ◽  
David S. Beecher ◽  
Sylvie Magnier ◽  
A. Marjatta Lyyra ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Electronic Transition ◽  
Radiative Lifetime ◽  
Transition Dipole Moment ◽  
Ion Pair ◽  
Transition Dipole ◽  
Lithium Dimer

Electronic transition dipole moment and radiative lifetime calculations of sodium dimer ion-pair states

2015 ◽  
Vol 143 (10) ◽  
pp. 104304 ◽  
Author(s):  
Aydin Sanli ◽  
Bediha Beser ◽  
John R. Edwardson ◽  
Sylvie Magnier ◽  
Ergin H. Ahmed ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Electronic Transition ◽  
Radiative Lifetime ◽  
Transition Dipole Moment ◽  
Ion Pair ◽  
Transition Dipole ◽  
Sodium Dimer

Precise determination of the orientation of the transition dipole moment in a Bodipy derivative by analysis of the magnetophotoselection effect

2018 ◽  
Vol 20 (31) ◽  
pp. 20497-20503 ◽  
Author(s):  
Antonio Toffoletti ◽  
Zhijia Wang ◽  
Jianzhang Zhao ◽  
Matteo Tommasini ◽  
Antonio Barbon
Keyword(s):  
Dipole Moment ◽  
Electronic Transition ◽  
Transition Dipole Moment ◽  
Precise Determination ◽  
Transition Dipole ◽  
Molecular Frame

Precise determination, in isotropic samples, of the electronic transition dipole moment orientation in the molecular frame by exploiting magnetophotoselection effects.

Electronic transition dipole moment functions for NaK

1985 ◽  
Vol 110 (2) ◽  
pp. 242-255 ◽  
Author(s):  
Lyn B. Ratcliff ◽  
Daniel D. Konowalow ◽  
Walter J. Stevens
Keyword(s):  
Dipole Moment ◽  
Electronic Transition ◽  
Transition Dipole Moment ◽  
Transition Dipole ◽  
Moment Functions

scholarly journals Electronic structure with dipole moment and ionicity calculations of the low-lying electronic states of the ZnF molecule

2017 ◽  
Vol 95 (1) ◽  
pp. 22-27 ◽  
Author(s):  
Soumaya Elmoussaoui ◽  
Nayla El-Kork ◽  
Mahmoud Korek
Keyword(s):  
Dipole Moment ◽  
Ground State ◽  
Bound States ◽  
Radiative Lifetime ◽  
Electronic States ◽  
Rotational Constant ◽  
Transition Dipole Moment ◽  
Transition Dipole ◽  
Complete Active Space ◽  
Self Consistent Field

Adiabatic potential energy curves of the 28 low-lying doublet and quartet electronic states in the representation 2s+1Λ(±) of the zinc monofluoride molecule are investigated using the complete active space self-consistent field (CASSCF) with multi-reference configuration interaction (MRCI) method including single and double excitations with the Davidson correction (+Q). The internuclear distance Re, the harmonic frequency ωe, the static and transition dipole moment μ, the rotational constant Be, and the electronic transition energy with respect to the ground state Te are calculated for the bound states. The transition dipole moment between some doublet states is used to determine the Einstein spontaneous A21 and induced emission [Formula: see text] coefficients, as well as the spontaneous radiative lifetime τspon, emission wavelength λ21, and oscillator strength f21. The ground state ionicity qionicity and equilibrium dissociation energy DE,e are also computed. The comparison between the values of the present work and those available in the literature for several electronic states shows very good agreement. Twenty-three new electronic states have been studied in the present work for the first time.

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