Multi-configuration time-dependent Hartree
Multi-configuration Time-dependent Hartree (MCTDH) is an algorithm for solving the time-dependent Schrödinger equation of multidimensional systems of several distinguishable particles. Typically, MCTDH is used to calculate the dynamics of molecular systems with a maximum of about 30 degrees of freedom . It is possible to handle several coupled electronic states.
literature
- H.-D. Meyer, U. Manthe, LS Cederbaum: The multi-configurational time-dependent Hartree approach . In: Chemical Physics Letters . tape 165 , no. 1 , January 5, 1990, p. 73-78 , doi : 10.1016 / 0009-2614 (90) 87014-I .
- U. Manthe, H.-D. Meyer, LS Cederbaum: Wave ‐ packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl . In: The Journal of Chemical Physics . tape 97 , no. 5 , September 1, 1992, pp. 3199-3213 , doi : 10.1063 / 1.463007 .
- MH Beck, A. Jäckle, GA Worth, H.-D. Meyer: The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets . In: Physics Reports . tape 324 , no. 1 , January 2000, p. 1-105 , doi : 10.1016 / S0370-1573 (99) 00047-2 .