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

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

Chemistry

University of Kansas

Research output: Contribution to journal › Article › peer-review

95 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 (3σ_g) and antibonding (2σ_u) electrons together.

Original language	English
Article number	063404
Pages (from-to)	063404/1-063404/9
Journal	Physical Review A - Atomic, Molecular, and Optical Physics
Volume	64
Issue number	6
State	Published - Dec 2001

Cite this

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title = "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",

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.",

author = "Xi Chu and Chu, {Shih I.}",

year = "2001",

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journal = "Physical Review A - Atomic, Molecular, and Optical Physics",

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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. / Chu, Xi; Chu, Shih I.
In: Physical Review A - Atomic, Molecular, and Optical Physics, Vol. 64, No. 6, 063404, 12.2001, p. 063404/1-063404/9.

Research output: Contribution to journal › Article › peer-review

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T1 - Time-dependent density-functional theory for molecular processes in strong fields

T2 - Study of multiphoton processes and dynamical response of individual valence electrons of N2 in intense laser fields

AU - Chu, Xi

AU - Chu, Shih I.

PY - 2001/12

Y1 - 2001/12

N2 - 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.

AB - 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.

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M3 - Article

AN - SCOPUS:0035672155

SN - 1050-2947

VL - 64

SP - 063404/1-063404/9

JO - Physical Review A - Atomic, Molecular, and Optical Physics

JF - Physical Review A - Atomic, Molecular, and Optical Physics

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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

Abstract

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