NEW EXACT RELATIONS FOR IMPROVING THE EXCHANGE AND CORRELATION POTENTIALS

摘要

For the purpose of improving present approximations to the exchange and correlation potentials, newly derived properties of the exact exchange and correlation potentials are summarized. Present approximations are not expected to generally satisfy these properties. The summarized properties include relations at the Fermi level, low-density requirements, and a new density functional formula for computing ionization energies. (C) 1995 John Wiley & Sons, Inc. [References: 10]