RE: MP2 in solids



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.
 _______
 Vitaly Rassolov                      rassolov %! at !% chem.nwu.edu
 Chemistry Department                 tel. (847) 491-3423
 Northwestern University              fax  (847) 491-7713