Re: CCL:Comparison ab initio vs DFT and semi-empirical methods



 Hi Anatoli,
 
The following recent paper compares the accuracy of various semiempirical methods with DFT of over 1,000 compounds.
 Comparison of the accuracy of semiempirical and some DFT methods for
 predicting heats of formation, James J. P. Stewart, J Mol Model (2004) 10:6-12
 Regards,
 David Gallagher
 At 03:30 PM 4/7/2004, Anatoli Korkin wrote:
 
 Dear Colleagues,
 I will appreciate if you send me refenece(s) of
 your, or someone else's paper or review, where
 computed properties (desirably many) calculated
 with different methods are tabulated for comparison
 of the performance of the higher level ab initio
 approaches (e.g. CC, MP4, and/or CI) vs DFT and/or
 semi-empirical methods.
 I will send a summary to the list, if there is interest.
 Thank you very much for your help and consideration.
 Best regards,
 Anatoli Korkin
 __________________________________
 Do you Yahoo!?
 Yahoo! Small Business $15K Web Design Giveaway
 http://promotions.yahoo.com/design_giveaway/
 -= This is automatically added to each message by the mailing script =-
 To send e-mail to subscribers of CCL put the string CCL: on your Subject: line
 and send your message to:  CHEMISTRY|at|ccl.net
 Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST|at|ccl.net
 HOME Page: http://www.ccl.net
 | Jobs Page: http://www.ccl.net/jobs
 If your mail is bouncing from CCL.NET domain send it to the maintainer:
 Jan Labanowski,  jlabanow|at|nd.edu (read about it on CCL Home Page)
 -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+