Multiconfiguration time-dependent self-consistent field approximation for curve crossing in presence of a bath. A fast fourier transform study

Zvi Kotler, Abraham Nitzan, R. Kosloff

Research output: Contribution to journalArticlepeer-review

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 languageEnglish
Pages (from-to)483-489
Number of pages7
JournalChemical Physics Letters
Volume153
Issue number6
DOIs
StatePublished - 30 Dec 1988

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