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Wave packet methods for charge exchange processes in ion-atom collision

par Baloitcha, Ezinvi;Desouter-Lecomte, M;Bacchus-Montabonel, M-C;Vaeck, Nathalie
Référence The Journal of Chemical Physics, 114, page (8741-8751)
Publication Publié, 2001

Article révisé par les pairs

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Résumé :

Efficiency of different time-dependent and time-independent wave packet methods for charge-exchange cross sections in ion-atom collisions was discussed. The time-independent spectral projection method, based on the Chebyshev expansion of the resolvent function involved a time propagation while the flux operator method required propagation in time. Flux operator method used the properties of absorbing potentials in order to calculate the flux operator matrix elements.