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    Time-dependent localized Hartree-Fock density-functional linear response approach for photoionization of atomic excited states

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    ChuShih-I_5-13-2009.pdf (1008.Kb)
    Issue Date
    2009-05-13
    Author
    Zhou, Zhongyuan
    Chu, Shih-I
    Publisher
    American Physical Society
    Type
    Article
    Article Version
    Scholarly/refereed, publisher version
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    Abstract
    We present a time-dependent localized Hartree-Fock density-functional linear response approach for the treatment of photoionization of atomic systems. This approach employs a spin-dependent localized Hartree-Fock exchange potential to calculate electron orbitals and kernel functions, and thus can be used to study the photoionization from atomic excited states. We have applied the approach to the calculation of photoionization cross sections of Ne ground state. The results are in agreement with available experimental data and have comparable accuracies with other ab initio theoretical results. We have also extended the approach to explore the photoionization from Ne excited states and obtained some results for the photoionization from outer-shell and inner-shell excited states.
    Description
    This is the published version, also available here: http://dx.doi.org/10.1103/PhysRevA.79.053412.
    URI
    http://hdl.handle.net/1808/16028
    DOI
    https://doi.org/10.1103/PhysRevA.79.053412
    Collections
    • Chemistry Scholarly Works [610]
    Citation
    Zhou, Zhongyuan & Chu, Shih-I. "Time-dependent localized Hartree-Fock density-functional linear response approach for photoionization of atomic excited states." Phys. Rev. A 79, 053412 – Published 13 May 2009. http://dx.doi.org/10.1103/PhysRevA.79.053412.

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    Contact KU ScholarWorks
    785-864-8983
    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    785-864-8983

    KU Libraries
    1425 Jayhawk Blvd
    Lawrence, KS 66045
    Image Credits
     

     

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