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Journal
2013 | 11 | 9 | 1107-1114
Article title

Theoretical study of highly-excited states of KRb molecule

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EN
Abstracts
EN
Semi-empirical adiabatic potential energy curves of highly excited states of the KRb molecule are calculated as a function of the internuclear distance R over a wide range from 3 to 150 a
0. The diatomic molecule is treated as an effective two-electron system by using the large core pseudopotentials and core polarization potentials. All calculations are performed by using the nonrelativistic CASSCF/MRCI method with accurate basis set functions. The spectroscopic constants of the calculated electronic states agree well with experimental data, including the recent ones from Lee et al., and with available theoretical results.
Publisher

Journal
Year
Volume
11
Issue
9
Pages
1107-1114
Physical description
Dates
published
1 - 9 - 2013
online
24 - 11 - 2013
Contributors
author
  • Department of Theoretical Physics and Quantum Information Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, ul. Narutowicza 11/12, 80-233, Gdańsk, Poland
author
  • Department of Theoretical Physics and Quantum Information Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, ul. Narutowicza 11/12, 80-233, Gdańsk, Poland
  • Department of Theoretical Physics and Quantum Information Faculty of Applied Physics and Mathematics, Gdańsk University of Technology, ul. Narutowicza 11/12, 80-233, Gdańsk, Poland, jes@mif.pg.gda.pl
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Document Type
Publication order reference
Identifiers
YADDA identifier
bwmeta1.element.-psjd-doi-10_2478_s11534-012-0137-5
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