The degeneracy effects in the isoelectronic series of the second‐row atoms are analyzed. New values are estimated for the correlation energies. The correlation energy diagram exhibits a remarkable similarity with the corresponding one for first‐row atoms and ions. We have added a new table of data which summarizes the results for the first‐ and second‐row correlation energies. These data make use of previously unpublished computations on the relativistic effects.
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3.
4.
E.
Clementi
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9
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(1965
). Note: for Mg and the corresponding ions, only 3p functions are given in Ref. 4 (due to the lack of occupancy of the 3p orbital in the one‐configuration problem; see Table 19‐01). The 5‐p functions we used in the two‐configurations problem have been determined through an orbital exponent optimization for the one‐configuration problem.5.
A. Veillard and E. Clementi, IBM Tech. Rept. RJ 447, July 1967.
6.
The values of EC(10) for the 10‐electron system, needed in the evaluation of EC(A), were taken from Ref. 3.
7.
A. Sureau and G. Berthier, Theoret. Chim. Acta (to be published). Analogous conclusions were obtained by V. McKay and O. Sinanoğlu, in Modern Quantum Chemistry, O. Sinanoğlu, Ed. (Academic Press Inc., New York, 1965), Vol. 2, p. 23.
8.
P. Cade, “First and Second Row Hydrides” (see Appendix), Tech. Rept. 1967, Laboratory of Molecular Structure and Spectra, Department of Physics, University of Chicago, Chicago, Ill.
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In the meantime, the lecture has appeared in the literature: J. C. Slater, Proc. Intern. Symp. At. Mol. Solid State Theory, 1967, 783 (1967).
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© 1968 American Institute of Physics.
1968
American Institute of Physics
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