The self‐consistent‐field function for atoms with 2 to 36 electrons are computed with a minimal basis set of Slater‐type orbitals. The orbital exponent of the atomic orbitals are optimized as to ensure the energy minimum. The analysis of the optimized orbital exponents allows us to obtain simple and accurate rules for the 1s, 2s, 3s, 4s, 2p, 3p, 4p, and 3d electronic screening constants. These rules are compared with those proposed by Slater and reveal the need of accounting for the screening due to the outside electrons. The analysis of the screening constants (and orbital exponents) is extended to the excited states of the groundstate configuration and to the positive ions.
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D. R. Hartree, The Calculation of Atomic Structures (John Wiley & Sons, Inc., New York, 1957).
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C. C. J. Roothaan, L.M.S.S. Technical Rept., The University of Chicago, 1955.
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J. C. Slater, Theory of Atomic Structure (McGraw‐Hill Book Company, Inc., New York, 1960) Vol. I.
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These tables have been deposited as Document No. 7545 with the ADI Auxiliary Publications Project, Photoduplication Service, Library of Congress, Washington 25, D.C. A copy may be secured by citing the document number and by remitting $27.50 for photoprints or $7.75 for 35‐mm microfilm. Advance payment is required. Make checks or money orders payable to Chief, Photoduplication Service, Library of Congress.
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© 1963 American Institute of Physics.
1963
American Institute of Physics
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