| Autor: |
Gindensperger, E., Meier, C., Beswick, J. A., Heitz, M-C. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 6/15/2002, Vol. 116 Issue 23, p10051, 9p, 2 Charts, 4 Graphs |
| Abstrakt: |
We apply the mixed quantum/classical method based on the Bohmian formulation of quantum mechanics [E. Gindensperger, C. Meier, and J. A. Beswick, J. Chem. Phys. 113, 9369 (2000)] to the case of rotational diffractive surface scattering of a diatomic molecule. The rotation as well as the normal translational degree of freedom are treated classically while the two parallel degrees of freedom that account for the diffraction are treated quantum mechanically. The effects of treating some degrees of freedom classically are discussed in detail by comparing our novel approximate method to quantum wave packet results obtained by the multiconfiguration time-dependent Hartree method. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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