Method for ab initio nonlinear electron-density evolution

Roi Baer; Recca Gould

doi:10.1063/1.1342761

Method for ab initio nonlinear electron-density evolution

Roi Baer, Recca Gould

Institute of Chemistry

Research output: Contribution to journal › Article › peer-review

49 Scopus citations

Abstract

An accurate nonlinear time evolution scheme based on Chebyshev interpolation in the time domain is presented. The equation set up is an implicit integral equation. This approach enables studying complicated time-dependent electronic processes in systems such as molecular wires.

Original language	English
Pages (from-to)	3385-3392
Number of pages	8
Journal	Journal of Chemical Physics
Volume	114
Issue number	8
DOIs	https://doi.org/10.1063/1.1342761
State	Published - 22 Feb 2001

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Method for ab initio nonlinear electron-density evolution

Abstract

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