Laser pulses in TDDFT

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Recent advancements in laser technology made it possible to generate laser pulses on the femtosecond time scale with tailored temporal shape. In this project, a time-dependent electric field E(t) will be implemented in CP2K for the use in large-scale simulations based on time-dependent density functional theory (TDDFT). Possible fields of applications include nanoplasmonics with ultrashort laser pulses [1,2,3], see below a sketch of a metallic tip on a metallic surface.

[1] See "10. Quantum plasmonics" in Stockman et al., Roadmap on plasmonics, J. Opt. 20, 043001 (2018).

[2] See an application of TDDFT with colleagues from the Regensburg Center for Ultrafast Nanoscopy (RUN): Peller et al., Quantitative sampling of atomic-scale electromagnetic waveforms, Nat. Photonics 15, 143–147 (2021),

[3] There has been also a Psi-K workshop on theoretical nanoplasmonics.

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