An accurate ab initio potential energy surface has been employed for the treatment of the full quantum dynamics for isotopic exchange reaction (HeHe2+)-He-4-He-3+He-4. State-to-state reactive probabilities have been obtained using a time-independent approach at ultralow collision energies. More than one total angular momentum has been calculated in order to provide a converged rate constant for the title reaction within the ultralow temperature regime. The reaction is found to become faster than the Langevin value when T -> 0, thus providing connection with experiments with sympathetically cooled molecular ions or superfluid helium nanodroplets.
Ultra low-energy behavior of an ionic replacement reaction (HeHe+)-He-3-He-4+He-4 -> He-4(2)++He-3 / Bodo, Enrico; Gianturco, Francesco Antonio. - In: PHYSICAL REVIEW A. - ISSN 1050-2947. - STAMPA. - 73:(2006). [10.1103/physreva.73.032702]
Ultra low-energy behavior of an ionic replacement reaction (HeHe+)-He-3-He-4+He-4 -> He-4(2)++He-3
BODO, Enrico;GIANTURCO, Francesco Antonio
2006
Abstract
An accurate ab initio potential energy surface has been employed for the treatment of the full quantum dynamics for isotopic exchange reaction (HeHe2+)-He-4-He-3+He-4. State-to-state reactive probabilities have been obtained using a time-independent approach at ultralow collision energies. More than one total angular momentum has been calculated in order to provide a converged rate constant for the title reaction within the ultralow temperature regime. The reaction is found to become faster than the Langevin value when T -> 0, thus providing connection with experiments with sympathetically cooled molecular ions or superfluid helium nanodroplets.I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.