First-principles electron dynamics calculations can be applied in the investigation of a wide range of ultrafast phenomena in attosecond physics.They offer unique microscopic insight into light-induced ultrafast pheno...First-principles electron dynamics calculations can be applied in the investigation of a wide range of ultrafast phenomena in attosecond physics.They offer unique microscopic insight into light-induced ultrafast phenomena in both gas and condensed phases of matter,and thus,they are apowerful tool to develop our understanding of the physics of attosecond phenomena.We specifically review techniques employing time-dependent density functional theory(TDDFT)for investigating attosecond and strong-field phenomena.First,we describe this theoretical framework that enables the modeling of perturbative and non-perturbative electron dynamics in materials,including atoms,molecules,and solids.We then discuss its application to attosecond experiments,focusing on the reconstruction of attosecond beating by interference of two-photon transitions(RABBIT)measurements.Wealso briefly review first-principles calculations of optical properties of solids with TDDFT in the linear response regime and their extension to calculations of transient optical properties of solids in non-equilibrium phases,by simulating experimental pump-probe setups.We further demonstrate the application of TDDFT simulation to high-order harmonic generation in solids.First-principles calculations have predictive power,and hence they can be utilized to design future experiments to explore nonequilibrium and nonlinear ultrafast phenomena in matter and characterize and control metastable light-induced quantum states.展开更多
基金supported by JSPS KAKENHI Grant Numbers JP20K14382 and JP21H01842the Cluster of Excellence 'CUI: Advanced Imaging of Matter'- EXC 2056 - project ID 390715994+5 种基金SFB-925 "Light induced dynamics and control of correlated quantum systems" – project 170620586 of the Deutsche Forschungsgemeinschaft (DFG)the Max Planck-New York City Center for Non-Equilibrium Quantum PhenomenaThis work was also supported by MEXT Promotion of Development of a Joint Usage/ Research System Project: Coalition of Universities for Research Excellence Program (CURE) Grant Number JPMXP1323015474We also acknowledge support from the Marie Sk{\l}odowska- Curie Doctoral Network TIMES, grant No. 101118915, and SPARKLE grant No. 101169225the Italian Ministry of University and Research (MUR) under the PRIN 2022 Grant No 2022PX279E_003Next Generation EUPartenariato Esteso NQSTI - Spoke 2 (THENCE-PE00000023). The Flatiron Institute is a division of the Simons Foundation. This work used computational resources of the HPC systems at the Max Planck Computing and Data Facility (MPCDF), and the Fujitsu PRIMERGY CX400M1/CX2550M5 (Oakbridge-CX) at the Information Technology Center, the University of Tokyo through the HPCI System Research Project (Project ID:hp220112).
文摘First-principles electron dynamics calculations can be applied in the investigation of a wide range of ultrafast phenomena in attosecond physics.They offer unique microscopic insight into light-induced ultrafast phenomena in both gas and condensed phases of matter,and thus,they are apowerful tool to develop our understanding of the physics of attosecond phenomena.We specifically review techniques employing time-dependent density functional theory(TDDFT)for investigating attosecond and strong-field phenomena.First,we describe this theoretical framework that enables the modeling of perturbative and non-perturbative electron dynamics in materials,including atoms,molecules,and solids.We then discuss its application to attosecond experiments,focusing on the reconstruction of attosecond beating by interference of two-photon transitions(RABBIT)measurements.Wealso briefly review first-principles calculations of optical properties of solids with TDDFT in the linear response regime and their extension to calculations of transient optical properties of solids in non-equilibrium phases,by simulating experimental pump-probe setups.We further demonstrate the application of TDDFT simulation to high-order harmonic generation in solids.First-principles calculations have predictive power,and hence they can be utilized to design future experiments to explore nonequilibrium and nonlinear ultrafast phenomena in matter and characterize and control metastable light-induced quantum states.
