Spin-dependent localized Hartree-Fock density-functional approach for the accurate treatment of inner-shell excitation of closed-shell atoms
View/ Open
Issue Date
2007-01-17Author
Chu, Shih-I
Zhou, Zhongyuan
Publisher
American Physical Society
Type
Article
Article Version
Scholarly/refereed, publisher version
Metadata
Show full item recordAbstract
A spin-dependent localized Hartree-Fock density-functional approach is presented for the efficient and accurate treatment of inner-shell excited states of atomic systems. The approach is applied to the calculation of the total and excitation energies of inner-shell excited states of several closed-shell atomic systems: Be, B+, Ne, and Mg. The predicted results are in overall good agreement with available experimental and other ab initio theoretical data. In addition, results for highly excited inner-shell states are presented.
Description
This is the published version, also available here: http://dx.doi.org/10.1103/PhysRevA.75.014501.
Collections
Citation
Zhou, Zhongyuan & Chu, Shih-I. "Spin-dependent localized Hartree-Fock density-functional approach for the accurate treatment of inner-shell excitation of closed-shell atoms." Phys. Rev. A 75, 014501 – Published 17 January 2007. http://dx.doi.org/10.1103/PhysRevA.75.014501.
Items in KU ScholarWorks are protected by copyright, with all rights reserved, unless otherwise indicated.
We want to hear from you! Please share your stories about how Open Access to this item benefits YOU.