Multi-configuration time-dependent Hartree

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.H. D. Meyer, U. Manthe, and L. S. Cederbaum, 'The multi-configurational time-dependent Hartree approach', Chem. Phys. Lett. 165 (1990) 73.

[ "Quantum dynamics", "Fock space", "Potential energy surface" ]
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