Electron dynamics on gold surfaces driven by short laser pulses

Yoshiyuki Miyamoto ()
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Yoshiyuki Miyamoto: Research Center for Computational Design of Advanced Functional Materials, National Institute of Advanced Industrial Science and Technology (AIST), Central 2, 1-1-1 Umezono

The European Physical Journal B: Condensed Matter and Complex Systems, 2018, vol. 91, issue 10, 1-7

Abstract: Abstract This paper describes the application of time-dependent density functional theory (TDDFT) to explore dynamics in condensed matter driven by strong short laser pulses. As a specific example, the calculation of the optical response on a gold surface is presented. The real-time TDDFT treatment of metallic systems is difficult due to the presence of a surface of the Fermi level (EF). Depending on EF, the occupation numbers of the states at each of the k points in the wedge of the first Brillouin zone should be assigned to obtain self-consistent charge-density and Kohn–Sham wavefunctions, which are set as the initial condition for the real-time propagation based on TDDFT. Furthermore, a computational scheme for exploring the optical field enhancement by the Au surface and numerical problems arising from the periodic boundary conditions are discussed.

Date: 2018
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DOI: 10.1140/epjb/e2018-90091-y

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