Self-consistent field with exchange for carbon

Abstract

Abstract The self-consistent field equations without exchange have been solved for carbon by Torrance (1934) and the energy calculated by Ufford (1938). The results obtained by solving the self-consistent field equations including exchange for neutral carbon are given in this paper. It seemed to be useful to compute the self-consistent field for ions C+4 and C++ also. Calculations for this atom were undertaken because the results are interesting for chemists and, moreover, in order to gain experience of these rather complicated calculations it seemed best to start on one of the light elements. The notation and method of calculation are in general the same as those used and developed by D. R. and W. Hartree (1935, 1936a, b, c, 1938a, b). The main difference is in the calculation of Yk functions.