Subject: CCL:Ab initio Molecular properties with linear scaling methods

From: "Prof. S. R. Gadre (Faculty@Chemistry)" <[email-masked]>
Date: Wed, 17 Apr 2002 12:21:47 +0530 (IST)

Dear Colleagues : I had sent the following mail and received some
replies. I would like to clarify that by "large" system. I mean one having
at least 1000 atoms. Thanks.........Shridhar GAdre

.........original message.........................

Dear Colleagues : 
   Linear scaling methods have become very popular for ab initio level
treatment of large molecules. We have been working with molecular
properties (such an electron density, electrostatic potential and field,
dipole moment etc.)obtained by these methods at ab initio level of theory
with a good basis-set (6-31++G(d,p) and higher).
   I could not get too many such references in the literature for large
molecules and will appreciate receiving these!
   Thanks ................Shridhar Gadre

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