- Library Home /
- Search Collections /
- Open Collections /
- Browse Collections /
- BIRS Workshop Lecture Videos /
- Quantal Translation-Rotation Dynamics of Clathrate-Entrapped...
Open Collections
BIRS Workshop Lecture Videos
BIRS Workshop Lecture Videos
Quantal Translation-Rotation Dynamics of Clathrate-Entrapped Dihydrogen Clusters Felker, Peter
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.
Item Metadata
Title |
Quantal Translation-Rotation Dynamics of Clathrate-Entrapped Dihydrogen Clusters
|
Creator | |
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 | |
Type | |
File Format |
video/mp4
|
Language |
eng
|
Notes |
Author affiliation: UCLA
|
Series | |
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 | |
Affiliation | |
Peer Review Status |
Unreviewed
|
Scholarly Level |
Faculty
|
Rights URI | |
Aggregated Source Repository |
DSpace
|
Item Media
Item Citations and Data
Rights
Attribution-NonCommercial-NoDerivatives 4.0 International