Subject: RE: MP2 in solids

From: Vitaly Rassolov <[email-masked]>
Date: Wed, 3 Nov 1999 14:57:41 -0600 (CST)

It was well known (but mostly forgotten by many) that MP2 energy diverges
for the electron gas.  The same is probably true for the solids with small
HOMO-LUMO gap.  Even the presence of very diffuse orbitals in molecules
often deteriorates MP2 energy.  That is probably the reason of lack of MP2
calculations in solids.

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Vitaly Rassolov                      [email-masked]
Chemistry Department                 tel. (847) 491-3423
Northwestern University              fax  (847) 491-7713