Subject: NBO and DFT

From: "Olegas Eicher-Lorka" <[email-masked]>
Date: Sun, 7 Apr 2002 16:53:40 +0200

Dear CCLers,

What is the meaning of an NBO analysis of a system, taken using a DFT method?

Is it a "real" result?

Or if a series of molecules are calculated at the same DFT level could a "good" comparison of the NBO results be made?

Thanks:

Olegas