Thursday, September 2, 2010

Multi Configuration Time Dependent Hartree (MCTDH)

Multi Configuration Time Dependent Hartree (MCTDH). MCTDH is a general algorithm to solve the time-dependent Schrödinger equation for multidimensional dynamical systems consisting of distinguishable particles. MCTDH can thus determine the quantal motion of the nuclei of a molecular system evolving on one or several coupled electronic potential energy surfaces. MCTDH by its very nature is an approximate method. However, it can be made as accurate as any competing method, but its numerical efficiency deteriorates with growing accuracy.
Do note that for interested researchers, the MCTDH package is distributed on request to interested researchers. If you want to work with MCTDH, please send an e-mail to Hans-Dieter.Meyer at

The User and Developer Manuals are comprehensive. In particular, the Installation and Compilation straightforward with steps to guide you along....

No comments: