Lifetimes and transition dipole moment functions of NaK low lying singlet states: Empirical and ab initio approach

1998 ◽  
Vol 109 (16) ◽  
pp. 6725-6735 ◽  
Author(s):  
M. Tamanis ◽  
M. Auzinsh ◽  
I. Klincare ◽  
O. Nikolayeva ◽  
R. Ferber ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Transition Dipole Moment ◽  
Transition Dipole ◽  
Singlet States ◽  
Moment Functions ◽  
Ab Initio Approach

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

The iodine E0g+–B0u+ and D0u+–X0g+ transition dipole moment functions

1999 ◽  
Vol 242 (2) ◽  
pp. 253-261 ◽  
Author(s):  
M.E. Akopyan ◽  
N.K. Bibinov ◽  
D.B. Kokh ◽  
A.M. Pravilov ◽  
M.B. Stepanov
Keyword(s):  
Dipole Moment ◽  
Transition Dipole Moment ◽  
Transition Dipole ◽  
Moment Functions

Theoretical investigation of the electronic structure and spectra of sulfur monoiodide cation, SI+

2020 ◽  
Vol 98 (12) ◽  
pp. 806-813
Author(s):  
Gabriel Fernando de Melo ◽  
Fernando R. Ornellas
Keyword(s):  
Dipole Moment ◽  
Transition Probabilities ◽  
Dipole Moments ◽  
Transition Dipole Moment ◽  
Theoretical Treatment ◽  
Transition Dipole ◽  
Dissociation Energies ◽  
Moment Functions ◽  
High Level ◽  
First Time

A manifold of singlet, triplet, and quintet electronic states of the sulfur monoiodide cation (SI+) correlating with the two lowest-lying dissociation channels is characterized theoretically at a high level of theoretical treatment (SA-CASSCF/MRCI+Q/aug-cc-pV5Z) for the first time. Potential energy curves, also including the effect of spin-orbit couplings, are constructed and the associated spectroscopic parameters and dissociation energies determined. As to the molecular polarity, we computed the dipole moment as a function of the internuclear distance and the associated vibrationally averaged dipole moments. Transition dipole moment functions were also constructed, and transition probabilities, as expressed by the Einstein coefficients for spontaneous emission, were evaluated for selected pairs of states that we identify as more easily accessible to experimental investigation. An analysis of the bonding in this system is also presented. Together with previous studies on neutral and cationic sulfur-monohalides, one has a comprehensive view of this series of molecules.

Potential energy and transition dipole moment functions of

2006 ◽  
Vol 104 (13-14) ◽  
pp. 1999-2005 ◽  
Author(s):  
T. [Sbreve]edivcová ◽  
V. [Sbreve]pirko
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Transition Dipole Moment ◽  
Transition Dipole ◽  
Moment Functions
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