The MCTDH Package. MCTDH stands for Multi Configuration Time Dependent Hartree. 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.
Keywords for this software
References in zbMATH (referenced in 2 articles )
Showing results 1 to 2 of 2.
- Lubich, Christian; Oseledets, Ivan V.; Vandereycken, Bart: Time integration of tensor trains (2015)
- Xu, Dong; Stare, Jernej; Cooksy, Andrew L.: Solving the vibrational Schrödinger equation on an arbitrary multidimensional potential energy surface by the finite element method (2009)
Further publications can be found at: http://www.pci.uni-heidelberg.de/tc/usr/mctdh/ref.html