Time-dependent density functional theory for nonadiabatic processes

Citation:

Baer, R. ; Kurzweil, Y. ; Cederbaum, L. S. Time-dependent density functional theory for nonadiabatic processes. Isr. J. Chem. 2005, 45, 161–170.
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Abstract:

Time-dependent density functional theory (TDDFT) is a general and robust method allowing the study of electron dynamics whether induced by nuclear motion or by external fields. We give a brief overview of the theory and some numerical methods together with recent applications stressing the generality and wide applicability of the method. We also discuss recent attempts to extend the present TDDFT by incorporating memory terms into the exchange correlation potentials.

Notes:

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Last updated on 12/02/2017