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A Hartree–Fock Program for Atomic Structure Calculations

Mitroy, Jim (1999). A Hartree–Fock Program for Atomic Structure Calculations. Australian Journal of Physics,52(6):973-997.

Document type: Journal Article
Citation counts: Scopus Citation Count Cited 22 times in Scopus Article | Citations

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Title A Hartree–Fock Program for Atomic Structure Calculations
Author Mitroy, Jim
Journal Name Australian Journal of Physics
Publication Date 1999
Volume Number 52
Issue Number 6
ISSN 0004-9506   (check CDU catalogue open catalogue search in new window)
Scopus ID 2-s2.0-0001187794
Start Page 973
End Page 997
Total Pages 25
Place of Publication Australia
Publisher C S I R O
Abstract The Hartree-Fock equations for a general open shell atom are described. The matrix equations that result when the single particle orbitals are written in terms of a linear combination of analytic basis functions are derived. Attention is paid to the complexities that occur when open shells are present. The specifics of a working FORTRAN program which is available for public use are described. The program has the flexibility to handle either Slater-type orbitals or Gaussian-type orbitals.
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Created: Fri, 29 Aug 2014, 19:54:54 CST by Anthony Hornby