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Approximate Wave Functions for Some Atoms of the First Long Period

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Abstract

Preliminary calculations, with exchange, of wave functions for some atoms of the first long period have been made. The results for Mn show that the (3d) wave function of the (3d)5(4s)2 6S state of neutral Mn differs little from that of the (3d)5 6S state of Mn+2, whereas it differs considerably from that of the (3d)7 4F state. Similar results are to be expected for other atoms. The (3d) wave functions of Ti+, Mn+, and Cu+ show a close approach to geometrical similarity; so also do those of V+2 and Mn+2. For the singly-ionized atoms Ca+ to Cu+, the screening number for the (3d) wave function at first decreases with increasing atomic number; a physical reason is given for this behavior. The relation of these results, and others interpolated from them, to the results of Catalán, Rohrlich, and Shenstone on the “horizontal analysis” of the low terms of the spectra of atoms of the first long period is shown.

© 1956 Optical Society of America

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