Variational Atomic Wave Functions

Abstract

The energy tables constructed by Morse, Young, and Haurwitz to facilitate the variational computation of wave functions for atoms containing $1s,2s, \mathrm{and} 2p$ electrons have been extended to include $3p$ and $3d$ electrons. The best parameters, total energies, and term values are given for the states $\mathrm{}\left(1s3d\right)\mathrm{} {}_{}{}^1{}_{}{}^{}D,{}_{}{}^3{}_{}{}^{}D;\left(2\mathrm{}{p}^2\right) {}_{}{}^3{}_{}{}^{}P,{}_{}{}^1{}_{}{}^{}D,{}_{}{}^1{}_{}{}^{}S$; and $\left(1\mathrm{}{s}^{2}3d\right) {}_{}{}^2{}_{}{}^{}D$ of the atoms He, Li, Be, B, C, N, O, F and Ne, and for $\mathrm{}\left(1s3p\right)\mathrm{} {}_{}{}^1{}_{}{}^{}P,{}_{}{}^3{}_{}{}^{}P$ of He I. It is shown that the observed energies of the $1snd$ states of He I are very accurately reproduced with the use of hydrogenic radial wave functions for both the $1s$ and $\mathrm{nd}$ electrons.