Self-consistent field with exchange for potassium and argon

 Douglas Rayner Hartree and W. Hartree

 Published:16 June 1938

 

 

Abstract

As already mentioned in a previous paper on the calculation of the self- consistent field with exchange for calcium (D. R. and W. Hartree 1938), wave functions more accurate than those calculated without exchange are required both for K⁺ and for Ar, and the calculations for calcium were carried out partly in the hope that it would be possible to interpolate with sufficient accuracy the difference between the wave functions calculated with and without exchange for K⁺ and Ar from the corresponding differences for Cl^- and Ca⁺⁺. The results showed that for the (Is), (2s) and (2p) wave function this interpolation would probably be satisfactory, but for the (3s) and (3p) wave functions it was not as straightforward as had been hoped, though even for the latter wave functions, estimates of the differences could be made which, while rather uncertain, would probably give appreciably better wave functions than those calculated without exchange and taken without modification.

 https://sci-hub.se/https://doi.org/10.1098/rspa.1938.0103

https://royalsocietypublishing.org/doi/pdf/10.1098/rspa.1938.0103