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

机译：非线性时间密度泛函理论方法粒子 - 固体相互作用与散射理论相比较

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An explicit expression for the quadratic density-response function of amany-electron system is obtained in the framework of the time-dependentdensity-functional theory, in terms of the linear and quadraticdensity-response functions of noninteracting Kohn-Sham electrons and functionalderivatives of the time-dependent exchange-correlation potential. This is usedto evaluate the quadratic stopping power of a homogeneous electron gas for slowions, which is demonstrated to be equivalent to that obtained up to secondorder in the ion charge in the framework of a fully nonlinear scatteringapproach. Numerical calculations are reported, thereby exploring the range ofvalidity of quadratic-response theory.

机译：在时变密度泛函理论的框架下，利用非相互作用的Kohn-Sham电子和时间的函数导数的线性和二次密度响应函数，获得了一个电子系统的二次密度响应函数的明确表达式。依赖的交换相关电位。这用于评估均匀电子气对减速的二次停止能力，这被证明与在完全非线性散射方法的框架下离子电荷的二次停止等效。报道了数值计算，从而探索了二次响应理论的有效性范围。

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Nazarov, V. U.; Pitarke, J. M.; Kim, C. S.; Takada, Y.;
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年度 2004
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正文语种 {"code":"en","name":"English","id":9}
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1. Time-dependent density-functional theory approach to nonlinear particle-solid interactions in comparison with scattering theory [J] . Nazarov VU, Pitarke JM, Kim CS, Journal of Physics. Condensed Matter . 2004,第47期

机译：与散射理论比较的时变密度泛函理论方法求解非线性颗粒-固体相互作用
2. turboEELS-A code for the simulation of the electron energy loss and inelastic X-ray scattering spectra using the Liouville-Lanczos approach to time-dependent density-functional perturbation theory [J] . Timrov Iurii, Vast Nathalie, Gebauer Ralph, Computer physics communications . 2015,第Null期

机译：turboEELS-A代码，使用基于时间的密度函数摄动理论的Liouville-Lanczos方法来模拟电子能量损失和非弹性X射线散射光谱
3. REAL-TIME APPROACH TO TIME-DEPENDENT DENSITY-FUNCTIONAL THEORY IN THE LINEAR AND NONLINEAR REGIME [J] . Mundt M Journal of theoretical & computational chemistry . 2009,第4期

机译：线性和非线性系统中与时间相关的密度函数理论的实时方法
4. Investigation of the nonlinear propagation of ultrasound through a bubbly medium including multiple scattering and bubble-bubble interaction: Theory and experiment [C] . Amin Jafari Sojahrood, Qian Li, Hossein Haghi, IEEE International Ultrasonics Symposium . 2017

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5. Strong-field time-dependent density-functional theory: Harmonic generation in molecular nitrogen. [D] . Mack, Michael R. 2012

机译：强场时变密度泛函理论：分子氮中的谐波产生。
6. Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space [O] . Johannes Flick, Michael Ruggenthaler, Heiko Appel, 2015

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7. Electron energy loss and inelastic x-ray scattering cross sections from time-dependent density-functional perturbation theory [O] . Timrov I, Vast N, Gebauer R, 2013

机译：随时间变化的密度函数微扰理论的电子能量损失和非弹性X射线散射截面
8. Interactions of Tollmien-Schlichting waves and Dean vortices. Comparison of direct numerical simulation and a weakly nonlinear theory [R] . Singer, Bart A., Zang, Thomas A. 1989

机译：Tollmien-schlichting波与Dean涡旋的相互作用。直接数值模拟与弱非线性理论的比较

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

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