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Time-dependent density-functional theory approach to nonlinear particle-solid interactions in comparison with scattering theory

V. U. Nazarov·J. M. Pitarke·C. S. Kim·Y. Takada
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Abstract

An explicit expression for the quadratic density-response function of a many-electron system is obtained in the framework of the time-dependent density-functional theory, in terms of the linear and quadratic density-response functions of noninteracting Kohn-Sham electrons and functional derivatives of the time-dependent exchange-correlation potential. This is used to evaluate the quadratic stopping power of a homogeneous electron gas for slow ions, which is demonstrated to be equivalent to that obtained up to second order in the ion charge in the framework of a fully nonlinear scattering approach. Numerical calculations are reported, thereby exploring the range of validity of quadratic-response theory.

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V. U. Nazarov, J. M. Pitarke, C. S. Kim, Y. Takada. 2004-11-04. Time-dependent density-functional theory approach to nonlinear particle-solid interactions in comparison with scattering theory. https://doi.org/10.1088/0953-8984%2F16%2F47%2F014

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