Analytic Wave Functions. II. Atoms with 1s, 2s, 2p, 3s, and 3p Electrons

Abstract

The variation program for the computation of atomic wave functions which has been developed and programed for IBM-704 electronic data processing machine is detailed. This calculation has been set up so as to be able to handle atoms having any combination of $1s$, $2s$, $2p$, $3s$, and $3p$ electrons. One example of the program is provided by a calculation of the wave functions for aluminum for all degrees of ionization. Another example is provided by a calculation of the fourteen configurations for oxygen having the electron distribution ${\mathrm{}\left(1s\right)\mathrm{}}^2{\mathrm{}\left(2s\right)\mathrm{}}^2{\mathrm{}\left(2p\right)\mathrm{}}^3\mathrm{}\left(3p\right)\mathrm{}$. Finally, the three ${}_{}{}^3{}_{}{}^{}P$ wave functions thus obtained are combined by means of the configuration interaction.