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MO: Fachverband Molekülphysik

MO 13: Molekülphysik Poster 1

MO 13.22: Poster

Dienstag, 3. März 2009, 16:30–19:00, VMP 8 Foyer

On the divergence of time-dependent perturbation theory applied to the laser-induced population transfer in molecules — •Klaus Renziehausen and Volker Engel — Institut für Physikalische Chemie, Am Hubland, 97074 Würzburg

Population transfer between electronic molecular states can be effectively induced via the interaction with shaped laser pulses. Regarding a numerical example, it is demonstrated that the scheme usually employed in (perturbative) numerical calculations might lead to divergences. Analytical considerations show, that the occuring error for a calculation of the norm can be de-composed into two parts. The first one is a small numerical error, which is controllable by minimization of the time-propagation step, whereas the second part, which can cause divergences, is related to the order of the perturbative expansion. An improved scheme is proposed in which the first part carring the numerical error disappears.