Near-field induced local excitation dynamics of Na10 and Na10–N2 from real-time TDDFT
光STMモデルによる局所励起とナトリウム原子鎖を伝搬して窒素分子まで伝わっていく電子のフェムト秒運動のスナップショット
Electron dynamics of the Na10 chain and the Na10–N2 complex locally excited by an atomistic optical near-field are investigated using real-time time-dependent density functional theory calculations on real-space grids. Ultrafast laser pulses were used to simulate the near-field excitation under on- and off-resonance conditions. Off-resonance excitation did not lead to the propagation of the excitation through the Na10 chain. In contrast,….
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Article Information:
Daisuke Nishizawa, Risa Amano, Tetsuya Taketsugu, Takeshi Iwasa, Near-field induced local excitation dynamics of Na10 and Na10–N2 from real-time TDDFT.The Journal of Chemical Physics 161,054309 (2024)
DOI:10.1063/5.0211353
