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https://scholarbank.nus.edu.sg/handle/10635/16124
| Title: | Time-dependent quantum wave-packet dynamics of poly-atomic reactions | Authors: | LU YUNPENG | Keywords: | quantum reaction dynamics, polyatomic reaction, four-center reaction, H+CH4, MPI, H2+H2 | Issue Date: | 25-Jun-2007 | Citation: | LU YUNPENG (2007-06-25). Time-dependent quantum wave-packet dynamics of poly-atomic reactions. ScholarBank@NUS Repository. | Abstract: | This thesis presents time-dependent wavepacket method in dealing with poly-atomic reaction mechanisms. Two reaction dynamics are studied: H2+H2four-center reaction dynamics and H+CH4 reduced-dimensional dynamics inseven-dimensional space. The thesis also presents the parallesim in quantumdynamics through the MPI framework. | URI: | http://scholarbank.nus.edu.sg/handle/10635/16124 |
| Appears in Collections: | Ph.D Theses (Open) |
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| phd_thesis.pdf | 1.14 MB | Adobe PDF | OPEN | None | View/Download |
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