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
Link To Document :
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