SCF Hartree–Fock calculations of ground state wavefunctions of compressed atoms

Abstract

SCF Hartree–Fock wavefunctions have been calculated for the ground state configurations of He, Li, Be, B, C, and Ne assuming that the atoms are enclosed within a spherical box with infinite potential walls. The variation of the total energy as a function of the sphere radius R is reported. The effect of compression on orbital energies is discussed.