CCL:G: how G03 builds promolecule density for Hirshfeld population analysis?

["Nuno A. G. Bandeira" <nuno.bandeira(!)ist.utl.pt>]

 Sent to CCL by: "Nuno A. G. Bandeira" [nuno.bandeira[]ist.utl.pt]
 Dear Alvaro,
 Hirshfeld charges are an experimental feature in Gaussian03.
If you run tests with any model you will obtain nonsensical results
 for
 Hirshfeld charges.
Regarding LiF question the Hirshfeld definition states that the
 promolecule is always built up from the neutral atomic constituents in
 their ground state i.e. rho(r) = Sum (rho_at) where rho_at is the
 atomic
 ground state density of each atom.
 Cheers,
 Nuno
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 Nuno A. G. Bandeira, AMRSC
 Graduate researcher and molecular sculptor
 Inorganic and Theoretical Chemistry Group,
 Faculty of Science
 University of Lisbon - C8 building, Campo Grande,
 1749-016 Lisbon,Portugal
 http://cqb.fc.ul.pt/intheochem/nuno.html
 Doctoral student (0) IST,Lisbon
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