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Title	Basis sets of trajectory guided Gaussians for efficient and accurate multidimensional quantum dy- namics
Creator	Shalashilin, Dmitry
Publisher	Banff International Research Station for Mathematical Innovation and Discovery
Date Issued	2013-05-01
Description	The approaches to quantum dynamics, based on trajectory guided basis sets of Gaussian Co- herent States will be presented. The methods of Coupled Coherent States [1] and Multiconfigurational Ehrenfest method [2, 3] are capable of treating short time multidimensional dynamics on a fully quantum level. Well converged and accurate results have been obtained for a number of systems comprised of tens and in some cases hundreds of degrees of freedom. The applications range from “ab initio on the fly” wavepacket dynamics of vibrationally and electronically excited polyatomic molecules [4] to electron dy- namics in strong laser field [5]. The methods can be derived from quantum variational principle [6] and rely heavily on efficient basis set samplings [7]. [1] Shalashilin D V, Child M S, Chem. Phys. 304 (2004) 103; [2] Shalashilin D V, J. Chem. Phys. 130 (2009) 244101; [3] Shalashilin D V, J. Chem. Phys. 132 (2010) 244111; [4] Saita K., Shalashilin D V, J. Chem. Phys. 137 (2012) 22A506; [5] Shalashilin D V, Child M S, Kirrander A, Chem. Phys. 347 (2008) 257; [6] Shalashilin D V, Burghardt I, J. Chem. Phys. 129 (2008) 084104; [7] Shalashilin D V, Child M S, J. Chem. Phys. 128 (2008) 054102.
Extent	29 minutes
Subject	Mathematics Quantum theory Partial differential equations Mathematical physics
Type	Moving Image
FileFormat	video/mp4
Language	eng
Notes	Author affiliation: University of Leeds
Series	BIRS Workshop Lecture Videos (Banff, Alta)
Date Available	2014-08-06
Provider	Vancouver : University of British Columbia Library
Rights	Attribution-NonCommercial-NoDerivs 2.5 Canada
DOI	10.14288/1.0043400
URI	http://hdl.handle.net/2429/49342
Affiliation	Non UBC
Peer Review Status	Unreviewed
Scholarly Level	Faculty
Rights URI	http://creativecommons.org/licenses/by-nc-nd/2.5/ca/
AggregatedSourceRepository	DSpace

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