Benchmark calculations on high-dimensional Henon-Heiles potentials with the multi-configuration time dependent Hartree (MCTDH) method
Abstract
We present quantum dynamical simulations on generalized, high-dimensional Henon-Heiles potentials. The calculations can serve as benchmark results for other, approximative methods. Especially, we will give a comparison with semiclassical and Gaussian wave packet Monte Carlo calculations from two other groups. The scaling behavior of the multi-configuration time dependent Hartree method with the dimensionality of the problem is investigated and discussed.
- Publication:
-
Journal of Chemical Physics
- Pub Date:
- December 2002
- DOI:
- 10.1063/1.1521129
- Bibcode:
- 2002JChPh.11710499N
- Keywords:
-
- 34.20.-b;
- 34.30.+h;
- 31.15.Ne;
- Interatomic and intermolecular potentials and forces potential energy surfaces for collisions;
- Intramolecular energy transfer;
- intramolecular dynamics;
- dynamics of van der Waals molecules;
- Self-consistent-field methods