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. It is an approximate method whose numerical efficiency decreases with growing accuracy [1].
MCTDH is suited for multi-dimensional problems, in particular for problems that are difficult or even impossible to solve in conventional ways [citation needed].
References
- Meyer, H.-D.; Manthe, U.; Cederbaum, L.S. (1990). "The multi-configurational time-dependent Hartree approach". Chemical Physics Letters. 165 (1). Elsevier BV: 73–78. Bibcode:1990CPL...165...73M. doi:10.1016/0009-2614(90)87014-i. ISSN 0009-2614.
- Manthe, U.; Meyer, H.‐D.; Cederbaum, L. S. (1992). "Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl". The Journal of Chemical Physics. 97 (5). AIP Publishing: 3199–3213. Bibcode:1992JChPh..97.3199M. doi:10.1063/1.463007. ISSN 0021-9606.
- Beck, M. H.; Jäckle, A.; Worth, G. A.; Meyer, H.-D. (2000). "The multiconfiguration time-dependent Hartree (MCTDH) method: a highly efficient algorithm for propagating wavepackets". Physics Reports. 324 (1). Elsevier BV: 1–105. Bibcode:2000PhR...324....1B. doi:10.1016/s0370-1573(99)00047-2. ISSN 0370-1573.
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