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- W110843259 abstract "A fast algorithm, has developed to compute derivative coupling matrix elements of one-electron diatomic molecular ion states in the hyperspherical adiabatic representation and in Solove`v`s formulation of the fixed nuclei representation. Some matrix elements exhibit an expected 1/R behaviour, where R measures the overall size of the system, as R {yields} {infinity}. This 1/R behaviour signals a transformation to the separated atom frame where atomic eigenstates with the Bates-McCarrol translation factors are appropriate. Matrix elements coupling states of the same united atom orbital quantum numbers also show a 1/R behaviour as R {yields} 0. This signals a transformation to a center of charge frame where the electron effectively moves in united atom eigenstates so that electron and nuclear motion decouple. Transitions, similar to united atom rotational coupling, are associated with this decoupling near R = 0. The probability for 1s-2s transitions in He{sup +} + H{sup +} collisions are computed analytically and compared with coupled channel calculations." @default.
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- W110843259 date "1993-05-01" @default.
- W110843259 modified "2023-09-28" @default.
- W110843259 title "Frame transformations in adiabatic representations" @default.
- W110843259 hasPublicationYear "1993" @default.
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