Electronic Structure Of Doubly Charged Dimers Mg22+ And Hg22+
Published under licence by IOP Publishing Ltd Journal of Physics B: Atomic and Molecular Physics, Volume 20, Number 6Citation G Durand et al 1987 J. Phys. B: Atom. Mol. Phys. 20 1161DOI 10.1088/0022-3700/20/6/006
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AFFILIATIONS
Lab. de Phys. Quantique Univ., Paul Sabatier, Toulouse, France
F Spiegelmann
AFFILIATIONS
Lab. de Phys. Quantique Univ., Paul Sabatier, Toulouse, France
A Bernier
AFFILIATIONS
Lab. de Phys. Quantique Univ., Paul Sabatier, Toulouse, France
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Open scienceAuthorsG Durand
AFFILIATIONS
Lab. de Phys. Quantique Univ., Paul Sabatier, Toulouse, France
F Spiegelmann
AFFILIATIONS
Lab. de Phys. Quantique Univ., Paul Sabatier, Toulouse, France
A Bernier
AFFILIATIONS
Lab. de Phys. Quantique Univ., Paul Sabatier, Toulouse, France
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0022-3700/20/6/1161Abstract
The authors present diabatic calculations of A22+ (A=Mg or Hg); electronic sigma states are shown to be very similar for these two systems. For A=Hg, spin-orbit coupling has been accounted for. Although initiated for the extraction of parameters of a model Hamiltonian for large charged clusters, these calculations can also be used for charge transfer collision studies with the help of electronic couplings.
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