Time-dependent density-functional theory for molecular processes in strong fields: Study of multiphoton processes and dynamical response of individual valence electrons of N2 in intense laser fields

Xi Chu, Shih I. Chu

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94 Scopus citations

Abstract

Time-dependent density-functional theory (TDDFT) study of the multiphoton dynamics of N2 was carried out. It was found that correct long-range behavior of the time-dependent exchange and correlation potential is essential. Ionization potential and orbital orientation effects coexisted in the multiphoton ionization and multielectron systems. Furthermore, it was found that the HHG of the N2 molecule is primarily due to the combined interference dynamics of the highest-binding (3σg) and antibonding (2σu) electrons together.

Original languageEnglish
Article number063404
Pages (from-to)063404/1-063404/9
JournalPhysical Review A - Atomic, Molecular, and Optical Physics
Volume64
Issue number6
StatePublished - Dec 2001

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