Title of article :
Coulomb energies via Stewart densities
Author/Authors :
Lee، نويسنده , , Aaron M. and Gill، نويسنده , , Peter M.W.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1998
Abstract :
We show that the long-range part of the Coulomb self-energy of an electron density ρ(r) is almost identical to that of its associated Stewart density ρ̃(r). Since the latter is obtained by fitting ρ(r) within an auxiliary basis of only s functions, our proposal can be viewed as a hybrid of the RI (resolution of the identity) and KWIK methods.
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters