2011
DOI: 10.1103/physreva.84.052720
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Isotope effect in charge-transfer collisions of H with He+

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Cited by 15 publications
(17 citation statements)
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“…The time-propagation is realized by the splitoperator algorithm [23] in the diabatic representation, and the S-matrix elements are calculated with the flux operator method [24] with a complex absorbing potential. This method has been previously described and used to compute charge transfer cross sections in several systems [25][26][27][28]. The second method is a time-independent approach which was used to ensure the validity of our results, in particular at low energy.…”
Section: Theorymentioning
confidence: 99%
“…The time-propagation is realized by the splitoperator algorithm [23] in the diabatic representation, and the S-matrix elements are calculated with the flux operator method [24] with a complex absorbing potential. This method has been previously described and used to compute charge transfer cross sections in several systems [25][26][27][28]. The second method is a time-independent approach which was used to ensure the validity of our results, in particular at low energy.…”
Section: Theorymentioning
confidence: 99%
“…Due to the large number of such couplings, we do not show them here and refer the reader to Refs. [25,26] where they are discussed. The matrix of the radial non-adiabatic couplings in the basis of the adiabatic electronic functions {ζ m }, F mm ′ = ζ m |∂ R |ζ m ′ , can be used to build the diabatic representation [27].…”
Section: A Molecular Datamentioning
confidence: 99%
“…Consequently, it can influence many aspects of the molecular dynamics [18][19][20]. For the gas phase reaction of CH 4 + OH → CH 3 + H 2 O, the replacement of OH with OD reduces the free energy barrier, while substituting D for H (connected to C) increases the free energy barrier [21].…”
Section: Introductionmentioning
confidence: 99%