MCTDH

MCTDH (Multi Configuration Time Dependent Hartree) 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 can also be used to propagate density operators and to determine eigenvalues and eigenstates of a molecular vibrational Hamiltonian.