Ab initio multiconfiguration Dirac-Hartree-Fock calculations of the in and Tl electron affinities and their isotope shifts

We report multiconfiguration Dirac-Hartree-Fock and relativistic configuration interaction calculations on the thallium (Tl) electron affinity, as well as on the excited energy levels arising from the ground configuration of Tl-. The results are compared with the available experimental values and further validated by extending the study to its homologous, lighter element, indium (In), belonging to group 13 (III.A) of the Periodic Table. The calculated electron affinities of In and Tl, 383.4 and 322.8 meV, agree with the latest measurements by within 1%. Three bound states 3P0,1,2 are confirmed in the 5s25p2 configuration of In-, while only the ground state 3P0 is bound in the 6s26p2 configuration of Tl-. The isotope shifts on the In and Tl electron affinities are also estimated. The E2 and M1 intraconfiguration radiative transition rates within 5s25p2 3P0,1,2 of In- are used to calculate the radiative lifetimes of the metastable 3P1,2 levels.

Schiffmann, SachaLund University,Lunds universitet,Matematisk fysik,Fysiska institutionen,Institutioner vid LTH,Lunds Tekniska Högskola,Mathematical Physics,Department of Physics,Departments at LTH,Faculty of Engineering, LTH,Université Libre de Bruxelles (ULB)(Swepub:lu)sa2063sc (author)
Wang, KaiHebei University (author)
Chen, Chong YangFudan University (author)
Godefroid, MichelUniversité Libre de Bruxelles (ULB) (author)
Université Libre de Bruxelles (ULB)Fudan University (creator_code:org_t)

By the author/editor: Si, Ran; Schiffmann, Sach ...; Wang, Kai; Chen, Chong Yang; Godefroid, Miche ...

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NATURAL SCIENCES: NATURAL SCIENCES; and Physical Science ...; and Atom and Molecul ...

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