Re: CCL:HOMO/LUMO gap

[Mikael Johansson <mpjohans_at_pcu.helsinki.fi>]

 Hello Jens and All!
 On Tue, 27 May 2003, Jens Spanget-Larsen wrote:
 > And in principle, MOs are not physical quantities; they are model
 > constructions, and as such they have no physical reality and they
 > cannot be observed experimentally.
 Well, there is a lot of discussion in the literature on this topic. A few
 good examples, biased towards my thinking, could be:
 [1] Stowasser and Hoffmann, "What Do the Kohn-Sham Orbitals and
     Eigenvalues Mean?", J.Am.Chem.Soc. 121 (1999) 3414-3420.
 [2] Baerends, Theor.Chem.Acc. 103 (2000) 265-269.
 Have a nice day,
     Mikael J.
     http://www.helsinki.fi/~mpjohans/