| Autor: |
Larsson, H. R., Hartke, B., Tannor, D. J. |
| Předmět: |
|
| Zdroj: |
Journal of Chemical Physics; 2016, Vol. 145 Issue 20, p1-13, 13p, 1 Chart, 9 Graphs |
| Abstrakt: |
We present an efficient implementation of dynamically pruned quantum dynamics, both in coordinate space and in phase space. We combine the ideas behind the biorthogonal von Neumann basis (PvB) with the orthogonalized momentum-symmetrized Gaussians (Weylets) to create a newbasis, projected Weylets, that takes the best from both methods. We benchmark pruned time-dependent dynamics using phase-space-localized PvB, projectedWeylets, and coordinate-space-localized DVR bases, with realworld examples in up to six dimensions. For the examples studied, coordinate-space localization is the most important factor for efficient pruning and the pruned dynamics is much faster than the unpruned, exact dynamics. Phase-space localization is useful for more demanding dynamics where many basis functions are required. There, projected Weylets offer a more compact representation than pruned DVR bases. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
|
