Title	Accurate lower band wave function for transitions through avoided crossings
Creator	Betz, Volker
Publisher	Banff International Research Station for Mathematical Innovation and Discovery
Date Issued	2016-01-28T16:52
Description	In a series of papers, Ben Goddard, Stefan Teufel and I introduced a method to compute the lower band wave function for transitions through avoided crossings in diatomic molecules. Here we report on the result of applying the method to realistic systems, using the paradigmatic example of NaI. It turns out that after some modifications, which are easy to explain and to implement, the method performs well on these models, leading to relative errors of 2% for the first transition and around 10% for the third one. Since the method computes the whole wave function, it can also resolve interference effects.
Extent	33 minutes
Subject	Mathematics; Quantum theory; Partial differential equations; Applied computer science
Type	Moving Image
File Format	video/mp4
Language	eng
Notes	Author affiliation: TU Darmstadt
Series	BIRS Workshop Lecture Videos (Banff, Alta)
Date Available	2016-07-29
Provider	Vancouver : University of British Columbia Library
Rights	Attribution-NonCommercial-NoDerivatives 4.0 International
DOI	10.14288/1.0307239
URI	http://hdl.handle.net/2429/58591
Affiliation	Non UBC
Peer Review Status	Unreviewed
Scholarly Level	Faculty
Rights URI	http://creativecommons.org/licenses/by-nc-nd/4.0/
Aggregated Source Repository	DSpace

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