Title of article
Idempotent density matrix derived from a local potential V(r) in terms of HOMO and LUMO properties
Author/Authors
Howard ، نويسنده , , I.A. and March، نويسنده , , N.H. and Ayers، نويسنده , , P.W.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2004
Pages
2
From page
231
To page
232
Abstract
In a recent paper one of us has exposed a link between the idempotent Dirac density matrix built from occupied Kohn–Sham orbitals and the frontier orbitals. An alternative argument is here presented, from the equation of motion of the density matrix generated by any local potential V(r).
Journal title
Chemical Physics Letters
Serial Year
2004
Journal title
Chemical Physics Letters
Record number
1783044
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