Title of article
Time-dependent wavepacket calculations on polyatomic reactive scattering Original Research Article
Author/Authors
C. Kalyanaraman، نويسنده , , David C. Clary، نويسنده ,
Issue Information
دوهفته نامه با شماره پیاپی سال 1998
Pages
9
From page
191
To page
199
Abstract
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 + H reaction.
Keywords
Symplectic integrator propagator , Time-dependent wavepacket calculations , Polyatomic reactive scattering
Journal title
Computer Physics Communications
Serial Year
1998
Journal title
Computer Physics Communications
Record number
1134573
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