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
Pages
7
From page
226
To page
232
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
Serial Year
1998
Journal title
Chemical Physics Letters
Record number
1772831
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