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Potential energy surfaces and quantum reactive scattering Guo, Hua
Description
We will discuss the role of multidimensional potential energy in quantum reactive scattering calculations in polyatomic systems, focus on the issues related to efficiency and accuracy of potential fitting and numerical solution of the Schrodinger equation. In particular, the combustion reaction HO + CO → H + CO2 system will be used as an example.
Item Metadata
Title |
Potential energy surfaces and quantum reactive scattering
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Creator | |
Publisher |
Banff International Research Station for Mathematical Innovation and Discovery
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Date Issued |
2013-05-02
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Description |
We will discuss the role of multidimensional potential energy in quantum reactive scattering calculations in polyatomic systems, focus on the issues related to efficiency and accuracy of potential fitting and numerical solution of the Schrodinger equation. In particular, the combustion reaction HO + CO → H + CO2 system will be used as an example.
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Extent |
30 minutes
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Subject | |
Type | |
File Format |
video/mp4
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Language |
eng
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Notes |
Author affiliation: University of New Mexico
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Series | |
Date Available |
2014-08-06
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Provider |
Vancouver : University of British Columbia Library
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Rights |
Attribution-NonCommercial-NoDerivs 2.5 Canada
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DOI |
10.14288/1.0043403
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URI | |
Affiliation | |
Peer Review Status |
Unreviewed
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Scholarly Level |
Faculty
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Rights URI | |
Aggregated Source Repository |
DSpace
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Item Media
Item Citations and Data
Rights
Attribution-NonCommercial-NoDerivs 2.5 Canada