| Autor: |
Symonds, C., Kattirtzi, J. A., Shalashilin, D. V. |
| Předmět: |
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| Zdroj: |
Journal of Chemical Physics; 5/14/2018, Vol. 148 Issue 18, pN.PAG-N.PAG, 15p, 1 Chart, 13 Graphs |
| Abstrakt: |
In this paper, we compare and contrast basis set sampling techniques recently developed for use in the ab initio multiple cloning method, a direct dynamics extension to the multiconfigurational Ehrenfest approach, used recently for the quantum simulation of ultrafast photochemistry. We demonstrate that simultaneous use of basis set cloning and basis function trains can produce results which are converged to the exact quantum result. To demonstrate this, we employ these sampling methods in simulations of quantum dynamics in the spin boson model with a broad range of parameters and compare the results to accurate benchmarks. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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