Effective Core Potentials for DFT Calculations

• 1 November 1995
• journal article
• research article
• Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
• Vol. 99  (47) , 17085-17087
• https://doi.org/10.1021/j100047a007

Abstract

Keywords

• BINDING ENERGY
• EFFECTIVE POTENTIAL
• HARTREE FOCK
• ELECTRON DENSITY
• DENSITY FUNCTION THEORY
• NICKEL
• LOCAL DENSITY APPROXIMATION