Sufficient condition for monotonic electron density decay in many-electron systems

摘要

For one-electron systems, if the external potential increases monotonically from the nucleus the ground-state electron density is monotonic. For two-electron densities, similar results hold for the Kohn-Sham potential. Similarly, for many-electron systems monotonicity of the sum of the Kohn-Sham potentials and "Pauli potential" (from the correction to the Weisacker kinetic energy) is sufficient for monotonic decay of the electron density. (C) 2003 Wiley Periodicals, Inc. [References: 31]