Abstract
The condition to be satisfied by the orbitals which minimize the orbital energies is determined. This condition provides a link with the Thomas-Fermi approximation.
Zusammenfassung
Es wird eine Bedingung bestimmt, die von den Orbitalen, die die Orbital-Energien auf ein Minimum herabsetzen, erfüllt wird. Diese Bedingung bringt eine Verbindung zu der Thomas-Fermi-Methode.
Résumé
On a déterminé la condition qui doit Être satisfaite par les orbitales qui produisent un minimum pour les énergies des orbitales. Cette condition permet d'établir un rapport avec la théorie de Thomas-Fermi.
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References
Birss, F. W., and S. Fraga: J. chem. Physics 38, 2552 (1963).
Clementi, E.: Unpublished results.
Fraga, S.: Theoret. chim. Acta (Berl.) 2, 403 (1964).
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This work has been supported in part by the National Research Council of Canada and has been presented in part at the 47th Annual Canadian Chemical Conference, Kingston, Ontario, Canada, June 1–3, 1964, and at the 2nd Gordon Research Conference on Theoretical Chemistry, New Hampton, N. H., U. S. A., June 29–July 3, 1964.
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Fraga, S. Non-relativistic self-consistent-field theory. II. Theoret. Chim. Acta 2, 406–410 (1964). https://doi.org/10.1007/BF00526589
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DOI: https://doi.org/10.1007/BF00526589