Intracule and Coulomb Hole Data

2018-11-07T14:07:11Z (GMT) by Adam Baskerville Andrew King Hazel Cox
The Hartree-Fock (HF) intracule density distribution data and the fully-correlated (FC) intracule density distribution data for Li+, He, H- and the critical nuclear charge system for two-electron binding. A 1000 data points are provided for each distribution. The HF and FC data can be subtracted to obtain the Coulomb hole data. Also provided is Coulomb hole data obtained by fitting a spline function.