Article ID Journal Published Year Pages File Type
9793079 Computational Materials Science 2005 5 Pages PDF
Abstract
This study is motivated by recent applications of laser and electron irradiation to manipulate structures on the atomic scale and a time-dependent Hartree-Fock simulation method with a semi-empirical Hamiltonian is applied to the description of the transient ensuing the energy input. Small silicon clusters and organic molecules are used as showcase examples. The validity of the approach is discussed in the light of experiments and of other calculations.
Related Topics
Physical Sciences and Engineering Engineering Computational Mechanics
Authors
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