Time-dependent wavepacket calculations on polyatomic reactive scattering
We report how the time-dependent wavepacket approach can be used to study polyatomic reactions efficiently. Symplectic integrator and symplectic corrector propagators have been used for the time evolution of the wavepacket. Their efficiencies have been compared in application to the H2 + OH → H2O +...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
1998
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