Please use this identifier to cite or link to this item: http://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
Source: 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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