CHARGE DENSITIES AT THE NUCLEUS (original) (raw)

The paper investigates the relationship between charge densities and their derivatives at the nucleus, specifically addressing the singularities present in the electronic Hamiltonian of N-electron atoms. It discusses the conditions necessary for wave functions to satisfy cusp conditions related to these singularities, highlighting the limitations of antisymmetrized products of one-electron functions. The findings emphasize the significance of correctly chosen basis functions and the contributions from various orbitals as atomic numbers increase, impacting the electronic energy and stability of the atom.