Subject: LDA/NLDA energies

From: [email-masked] (Frederic BOUYER)
Date: Mon, 29 May 1995 10:04:53 +0100

Hello,

Some articles report that LDA calculations overestimate interaction
energies whereas the NLDA (gradient corrected computations) could be more
accurate.

Is there an theoretical/physical explanation?

Thank you very much for responding.

Frederic Bouyer

Lab. Electrochimie, ENSCP, Paris-FRANCE
[email-masked]
http://alcyone.enscp.jussieu.fr/
http://alcyone.enscp.jussieu.fr/Pages/LECA/GP/FB/