Electronic Structure Of Doubly Charged Dimers Mg22+ And Hg22+

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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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G 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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G 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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0022-3700/20/6/1161

Abstract

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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