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Antisymmetry in hydrogenic HH+ and antihydrogenic antiHH+ cations: classical and ab initio quantum mechanical calculations

Ab initio quantum chemistry reveals how the charge-antisymmetric antihydrogenic antiHH+ state, deriving from conventional positional antisymmetry of a 3-unit charge system, is hidden in the PEC (potential energy curve) of the molecular hydrogen cation. Only with internal charge inversion and Coulomb...

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Detalles Bibliográficos
Autor principal: Van Hooydonk, G
Lenguaje:eng
Publicado: 2005
Materias:
Acceso en línea:http://cds.cern.ch/record/904987