Title	Quantal Translation-Rotation Dynamics of Clathrate-Entrapped Dihydrogen Clusters
Creator	Felker, Peter
Publisher	Banff International Research Station for Mathematical Innovation and Discovery
Date Issued	2016-01-25T09:04
Description	We describe computational approaches to the elucidation of the quantal translational/rotational dynamics of entrapped molecular clusters. The particular focus is on dihydogen clusters entrapped in clathrate hydrate cages. We discuss nuclear-orbital/configuration-interaction methods applied to the dynamics of (H2)3 and of (H2)4 entrapped in the large cage of type-II clathrate hydrate. We also discuss an approach in which the correlated translation motion of the two H2 moieties in clathrate-entrapped (H2)2 is solved for first, the results of which are then used to build up a translation/rotational basis for the solution of the full dynamics of the entrapped (H2)2 cluster.
Extent	26 minutes
Subject	Mathematics; Quantum theory; Partial differential equations; Applied computer science
Type	Moving Image
File Format	video/mp4
Language	eng
Notes	Author affiliation: UCLA
Series	BIRS Workshop Lecture Videos (Banff, Alta)
Date Available	2016-07-26
Provider	Vancouver : University of British Columbia Library
Rights	Attribution-NonCommercial-NoDerivatives 4.0 International
DOI	10.14288/1.0306931
URI	http://hdl.handle.net/2429/58535
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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Quantal Translation-Rotation Dynamics of Clathrate-Entrapped Dihydrogen Clusters Felker, Peter

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