Subject: Re: CCL:BSSE

From: uccatvm <[email-masked]>
Date: Fri, 23 Jun 2000 11:06:01 +0100 (BST)

Dear Masao,

>         Can anyone tell me the recent article and review for BSSE ?
> 

There are many articles that deal with one aspect or the other of BSSE.
To list a few:

-  F.B. van Duijneveldt, J.G.C.M. van Duijneveldt-van de Rijdt, and
   J.H. van Lenthe, Chem. Rev. 94, 1873, 1994 (on counterpoise theory)

-  S. Simon, M. Duran, J.J. Dannenberg, J. Chem. Phys. 105, 1996
   (on geometry optimizations on BSSE-corrected potential energy surfaces).

-  F.B. van Duijneveldt, "Basis Superposition Error"
   in "Molecular Interactions" S. Scheiner (ed.), Wiley (1997)

-  T. van Mourik, A.K. Wilson, K.A. Peterson, D.E. Woon, T.H. Dunning, Jr.,
   Adv. Quant. Chem. 31, 105, 1999 (showing BSSE effects on interaction
   energies, distances, and frequencies).

HTH,

Tanja              
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From: Ramón Sayós <[email-masked]>
Date: Fri, 23 Jun 2000 09:32:43 +0100

Masao Masamura wrote:

> Dear Sir:
>         Thank you.
> *************************************************
> Ph. D Masao Masamura
> Department of Preventive Dentistry
> Okayama University Dental School
> Shikata-cho 2-5-1, Okayama
> Japan
> *************************************************

  See for example  the following papers:

   *   State of the art in counterpoise theory
        F.B. van Duijneveldt  et al.
        Chem. Rev. 1994, 94, 1873-1885

   *   Critical evaluation of some computational approaches to the problem of
        basis set superposition errot
        M. Gutowski and G. Chatasinski
        J. Chem. Phys. 1993, 98, 5540-5554

------------------------------------------------------
Dr. R. Sayos
Departament de Quimica Fisica
Centre de Recerca en Quimica Teorica
Universitat de Barcelona
C/ Marti i Franques, 1
08028 BARCELONA (SPAIN)
Phone: 34 / 93 / 4021237
Fax:  34 / 93 / 4021231
E-mail:  [email-masked]
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