Publikationsdatum:
2014-02-26
Beschreibung:
Mixed quantum--classical models have attracted considerable interest due to the expectation that they correctly describe non--adiabatic processes of full quantum dynamics. One of these models, the so--called QCMD model, represents most degrees of freedom of the molecular system by the means of classical mechanics but an important, small portion of the system is modeled by a wavefunction: the wavefunction is nonlinearly coupled to the classical motion via a singularly perturbed Schrödinger equation. In extension to the analysis given by F.A.~Bornemann [{\em Homogenization in Time of Singularly Perturbed Mechanical Systems}, Lecture Notes in Mathematics, no.~1687, 1998, Springer, Berlin], the article presents an asymptotic expansion up to second order in the perturbation parameter. This result allows for the construction of new models and numerical integration schemes.
Schlagwort(e):
ddc:000
Sprache:
Englisch
Materialart:
reportzib
,
doc-type:preprint
Format:
application/postscript
Format:
application/pdf
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