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2013 | 11 | 9 | 1107-1114
Tytuł artykułu

Theoretical study of highly-excited states of KRb molecule

Treść / Zawartość
Warianty tytułu
Języki publikacji
EN
Abstrakty
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.
Wydawca

Czasopismo
Rocznik
Tom
11
Numer
9
Strony
1107-1114
Opis fizyczny
Daty
wydano
2013-09-01
online
2013-11-24
Twórcy
  • 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
autor
  • 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
Bibliografia
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Typ dokumentu
Bibliografia
Identyfikatory
Identyfikator YADDA
bwmeta1.element.-psjd-doi-10_2478_s11534-012-0137-5
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