Re: CCL:Long range Coloumb forces included in PM3 semiempirical methods?



Dear Connie,
 If you want to include long range interactions in your calculation, you
 probably need to go to a much heavier level of theory wich includes electron
 correlation. Semiempirical, HF and DFT methods fail when it comes, for
 example, to dispersion forces ( London bonds).
 George Papamokos
 Ph.D. Student
 Ioannina University
 Dept. of Chemistry
 Sector of Physical Chemistry
 ----- Original Message -----
 From: "Connie Chang" <cc236<<at>>cornell.edu>
 To: <chemistry<<at>>ccl.net>
 Sent: Wednesday, July 16, 2003 10:07 PM
 Subject: CCL:Long range Coloumb forces included in PM3 semiempirical
 methods?
 > Hi --
 >
 > Does anyone know if long range Coloumb forces are included in
 > semi-empirical methods like PM3?
 >
 > Thanks,
 > Connie
 >
 >
 >
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