Article (Scientific journals)
Semi-empirical calculations of radiative decay rates in Mo II. A comparison between oscillator strength parametrization and core-polarization-corrected relativistic Hartree-Fock approaches
Bouazza, S.; Palmeri, P.; Quinet, Pascal
2017In Journal of Quantitative Spectroscopy and Radiative Transfer, 199, p. 66-70
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Keywords :
Calculations; Molecular physics; Polarization; Quantum theory; Ab initio calculations; Core-polarization effects; Hartree-Fock approach; Principal quantum numbers; Radiative decay rates; Radiative parameters; Relativistic Hartree-Fock methods; Semi-empirical calculation; Quantum chemistry
Abstract :
[en] We present a semi-empirical determination of Mo II radiative parameters in a wide wavelength range 1716–8789 Å. Our fitting procedure to experimental oscillator strengths available in the literature permits us to provide reliable values for a large number of Mo II lines, predicting previously unmeasured oscillator strengths of lines involving 4d45p and 4d35s5p odd-parity configurations. The extracted transition radial integral values are compared with ab-initio calculations: on average they are 0.88 times the values obtained with the basic pseudo-relativistic Hartree Fock method and they agree well when core polarization effects are included. When making a survey of our present and previous studies and including also those given in the literature we observe as general trends a decreasing of transition radial integral values with filling nd shells of the same principal quantum numbers for ndk(n + 1)s → ndk(n + 1)p transitions. © 2017 Elsevier Ltd
Disciplines :
Physics
Author, co-author :
Bouazza, S.;  Département de physique, Université de Reims-Champagne, UFR SEN, BP 1039, F-51687 Reims Cedex 2, France
Palmeri, P.;  Physique Atomique et Astrophysique, Université de Mons- UMONS, Mons, Belgium
Quinet, Pascal  ;  Université de Liège - ULiège > Département de physique > Spectroscopie atomique et Physique des atomes froids
Language :
English
Title :
Semi-empirical calculations of radiative decay rates in Mo II. A comparison between oscillator strength parametrization and core-polarization-corrected relativistic Hartree-Fock approaches
Publication date :
2017
Journal title :
Journal of Quantitative Spectroscopy and Radiative Transfer
ISSN :
0022-4073
Publisher :
Elsevier Ltd
Volume :
199
Pages :
66-70
Peer reviewed :
Peer Reviewed verified by ORBi
Available on ORBi :
since 07 June 2019

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