Subject: Local correlation methods: From molecules to crystals

From: MSSC <mssc!at!unito.it>
Date: Fri, 23 Apr 2004 12:12:05 +0200

Local correlation methods: From molecules to crystals
                            LCC2004
              September 9-11, 2004 - Torino, Italy

               http://www.theochem.unito.it/lcc2004      

                              II CIRCULAR

                  Scope of the LCC2004 Workshop

 Local Correlation techniques permit the accurate and efficient
 evaluation of post-HF correlation corrections in large molecules. 
 Their adaptation for the solution of the same problem in 
 non-conducting periodic systems is straightforward in principle 
 but technically demanding. Implementation of local-MP2 the 
 simplest form of post-HF ab initio scheme, in connection with 
 the CRYSTAL program (CRYSCOR project) is currently at an advanced 
 stage, as the result of the collaboration between the Theoretical 
 Chemistry Group of the Torino University and scientists from 
 different Institutions (M. Sch|tz, C. Zicovich).
 The workshop is aimed to analyze the situation in this area of 
 research, to discuss computational strategies, to suggest new 
 developments, to propose applications and to promote new
collaborations. 
 It will comprise a number of invited contributions (see below), 
 panel discussions open to all participants, and a poster session. 

 Scientific Committee:

 Cesare Pisani *
 Martin Sch|tz
 Roberto Dovesi *
 Vic R. Saunders 

 (*) Directors

 Speakers (in alphabetical order) (*)

 Provisional titles of presentations

 Uwe Birkenheuer, Max Planck Institut, Dresden (Germany) 
      Cluster Embedding for Correlation Calculations: 
      Method and Applications 

 Stefano Evangelisti, University of  Toulouse (France)
      Multi-Reference calculations with localized orbitals

 Robert Evarestov, University of St. Petersburg (Russia)
       Symmetry of Wannier Functions 

 Peter Fulde, Max Planck Institut, Dresden (Germany)
       Energy bands based on local correlation methods. 

 Peter Knowles, University of Birmingham (UK)

 Fred Manby, University of Bristol (UK)

 Cesare Pisani, Silvia Casassa, Gabriella Capecchi, Roberto Dovesi, 
 University  of Torino (Italy)
       The CRYSCOR project: status and prospects

 Peter Pulay, University of Arkansas (USA)
      Toward full-accuracy local correlation methods

 Vic R. Saunders, University of Torino (Italy) and 
 CCLRC, Daresbury (UK)
       The use of Pair Natural Orbitals in MP and CC

 Andreas Savin, University of Paris VI (France)
     On the adiabatic connection: a link between CI and DFT 

 Martin Sch|tz, University of Stuttgart (Germany)

 Hermann Stoll, University of Stuttgart (Germany) 
     Many-body expansions in terms of localized orbital groups.

 Claudio Zicovich-Wilson, University of Morelos (Mexico)
   
 (*) All speakers have confirmed their participation.

 Contact Information and application form:
 
 http://www.theochem.unito.it/lcc2004
 
 E-mail:    mssc!at!unito.it 
 Telephone: +39 011 670 7562(4) 
 Fax:       +39 011 670 7855 
  
 Postal address: 
 Workshop04  - Dipartimento di Chimica IFM 
 Via Giuria 5 - I 10125 Torino Italy

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