Title of article
Investigations of the CASE approximation using the optimal partition of the Coulomb operator
Author/Authors
Lee، نويسنده , , Aaron M، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 1998
Pages
5
From page
172
To page
176
Abstract
A number of recently developed techniques for the computation of the Coulomb energy in O(N) work derive from the partitioning of 1/r into short- and long-range components. Considering only the short-range component of this operator yields the Coulomb-attenuated Schrِdinger equation (CASE). We examine the chemistry resulting from the combination of the CASE approximation with the optimal partition of the Coulomb operator.
Journal title
Chemical Physics Letters
Serial Year
1998
Journal title
Chemical Physics Letters
Record number
1774625
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