Prediction of Dispersion Forces: Is There a Problem?
John F. Dobson, Keith McLennan, Angel Rubio, Jun Wang, Tim Gould, Hung M. Le and Bradley P. Dinte
Australian Journal of Chemistry
54(8) 513 - 527
Published: 01 February 2002
Abstract
We discuss the ability of a number of standard and non-standard computational techniques to reproduce dispersion forces, using examples from the literature as well as some new examples. We conclude that there are still some cases where standard methods are not so far successful. There are some promising directions under study, however.Manuscript received: 15 March 2001
Final version: 26 October 2001.
https://doi.org/10.1071/CH01052
© CSIRO 2002
