Abstract:
The multilayer multi-configuration time-dependent Hartree (MCTDH)
theory is a particularly powerful tool to simulate quantum dynamics
in large systems. This rigorous quantum approach is based on an efficient
representation of the functional in a time-dependent variational
calculation, which recursively expand the wave function in several
(or many) dynamically contracted layers. Mathematically, the method
belongs to the general class of hierarchical tensor decomposition.
In this talk I will outline the derivation of the theory, the scaling
of the method, and application of the theory to some model reactions
that have interesting many-body quantum effects. |