Open AccessCalculation of the position of spectral lines in the intermediate coupling approximation taking into account the interaction of configurations
Author(s) -
Ilia Yurievich Vichev,
Dmitrii Andreevich Kim,
Anna Dmitrievna Solomyannaya,
A. S. Grushin,
Boris Leonidovich Iartsev
Publication year - 2021
Publication title -
preprint/preprinty ipm im. m.v. keldyša
Language(s) - English
Resource type - Journals
eISSN - 2071-2901
pISSN - 2071-2898
DOI - 10.20948/prepr-2021-66
Subject(s) - coupling (piping) , position (finance) , ion , lithium (medication) , spectral line , atomic physics , spin–orbit interaction , configuration interaction , basis (linear algebra) , physics , interaction , computational physics , computational chemistry , chemistry , molecular physics , materials science , quantum mechanics , mathematics , geometry , medicine , finance , economics , metallurgy , excited state , endocrinology , statistics
When modeling experimental spectra, special attention is paid to the accuracy of the position of spectral lines, which in many-electron ions depends not only on the spin-orbital and electrostatic interaction, but also on the interaction of configurations. In order to improve the THERMOS complex on the basis of an intermediate-type bond, a module was developed that uses the Ritz method to calculate the splitting of ion levels due to the spin-orbit interaction, taking into account the interaction of configurations. Comparisons of the results obtained for lithium and iron plasma are made.