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Double‐electron capture processes in charge transfer reactions
Author(s) -
Tergiman Y. S.,
BacchusMontabonel M. C.
Publication year - 2003
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.10843
Subject(s) - ion , electron capture , charge (physics) , atomic physics , electron , ab initio , helium , electron transfer , chemistry , collision , molecular dynamics , physics , computational chemistry , nuclear physics , quantum mechanics , computer security , organic chemistry , computer science
Double‐electron capture processes may be important in some collisions of multiply charged ions with atomic or molecular targets and have thus to be taken into account carefully. An illustration of these mechanisms is presented in parallel with single‐electron capture on two examples involving the quadruply charged ions B 4+ and N 4+ in collision with a helium target. A complete ab initio molecular treatment of the potential energy curves and couplings followed by a semiclassic collision dynamics has been performed for these systems. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2004