Abstract
The applicability of the multiconfiguration time-dependent self-consistent field approximation (MCTDSCF) for the dynamics of curve crossing processes under the influence of "external" degrees of freedom is tested on a simple model. The fast Fourier transform (FFT) algorithm for solving the time-dependent Schrödinger equation is used to solve the exact equations of motion and the corresponding approximate ones. Good agreement is obtained in adiabatic as well as in non-adiabatic situations.
Original language | English |
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Pages (from-to) | 483-489 |
Number of pages | 7 |
Journal | Chemical Physics Letters |
Volume | 153 |
Issue number | 6 |
DOIs | |
State | Published - 30 Dec 1988 |