From MROZEK@Trurl.ch.uj.edu.pl Sat Jan 29 07:45:21 1994 Received: from jetta.if.uj.edu.pl for MROZEK@Trurl.ch.uj.edu.pl by www.ccl.net (8.6.4/930601.1506) id GAA22300; Sat, 29 Jan 1994 06:49:27 -0500 From: Received: from Trurl.ch.uj.edu.pl by jetta.if.uj.edu.pl (4.1/SMI-4.1) id AA03450; Sat, 29 Jan 94 12:55:02 +0100 Received: from TRURL/MAILQUEUE by Trurl.ch.uj.edu.pl (Mercury 1.11); Sat, 29 Jan 94 12:49:49 GMT+2 Received: from MAILQUEUE by TRURL (Mercury 1.11); Sat, 29 Jan 94 12:49:46 GMT+2 Organization: Faculty of Chemistry, UJ To: chemistry@ccl.net Date: Sat, 29 Jan 1994 12:49:46 MET+2 Subject: Symposium: Thirty Years of the Density Functional Theory: Concep Priority: normal X-Mailer: PMail v3.0 (R1a) Message-Id: <5942636617@Trurl.ch.uj.edu.pl> Dear Netters, An abbreviated 2nd announcement on the Symposium is included below. The full text with information on transportation, social programs, tourist info, etc. and the ASCII registration form) can be found in the file: /pub/chemistry/info/conferences on the anon.ftp/gopher on www.ccl.net. You can also get it via e-mail by sending a message: select chemistry get info/conferences quit to MAILSERV@ccl.net ================================================================== Satellite Symposium of 8th International Congress of Quantum Chemistry THIRTY YEARS OF DENSITY FUNCTIONAL THEORY: CONCEPTS AND APPLICATIONS Cracow, Poland June 13-16, 1994 ORGANIZED BY JAGIELLONIAN UNIVERSITY under the auspices of THE INTERNATIONAL ACADEMY OF QUANTUM MOLECULAR SCIENCES 2nd (Last) Announcement December 1993 HONORARY CHAIRMEN: W. Kohn (USA) N.H. March (England) R.G. Parr (USA) CHAIRMAN: R.F. Nalewajski K. Guminski Department of Theoretical Chemistry Jagiellonian University R. Ingardena 3 30-060 Cracow Poland tel: (48-12) 33-63-77 ext. 212 fax: (48-12) 34-05-15 email: nalewajs@trurl.ch.uj.edu.pl ADVISORY BOARD J. Andzelm (USA) S.R. Gadre (India) J.L. Gazquez (Mexico) O. Gunnarsson (Germany) E.K.U. Gross (Germany) E.V. Ludena (Venezuela) J.P. Perdew (USA) J.A. Pople (USA) D.R. Salahub (Canada) V.H. Smith, Jr. (Canada) S.B. Trickey (USA) SPONSORS We thank the following institutions for sponsoring the Symposium: Committee for Scientific Research in Poland Ministry of National Education in Poland Polish Chemical Society Exxon Chemical International in Belgium Stiftung fuer Deutsch-Polnische Zusammenarbeit HONORARY COMMITTEE: Prof. Dr. Hab. A. Bielanski V-ce President of the Polish Academy of Science and Letters Prof. Dr. Hab. A. Chojnacki Technical University of Wroclaw Prof. Dr. Hab. A. Fulinski Jagiellonian University, Cracow Prof. Dr. Hab. Z. Galus President of the Polish Chemical Society, Warsaw Prof. Dr. Hab. A. Koj Rector of the Jagiellonian University, Cracow Prof. Dr. Hab. W. Kolos University of Warsaw, Warsaw J. Lassota President of the City of Cracow Prof. Dr. Hab. S. Olszewski Institute of Physical Chemistry, Polish Academy of Sciences, Warsaw Prof. Dr. Hab. A. Pelczar Rector (1990-1993) of the Jagiellonian University, Cracow Prof. Dr. Hab. H. Ratajczak University of Wroclaw, Wroceaw Prof. Dr. Hab. A. Witkowski Jagiellonian University, Cracow ORGANIZING COMMITTEE: Chairman Prof. Dr. Hab. R.F. Nalewajski Secretaries Doc. Dr. Hab. E. Broclawik Dr. J. Mrozek Dr. T. Zyczkowska Members Doc. Dr. Hab. M. Witko Dr. J. Korchowiec A. Michalak R. Tokarz ACCOMMODATION The participants will be accommodated in the "CRACOVIA" HOTEL**** Focha 1 st., 30-111 Cracow phone (48-12) 22-86-66 telex 0322341 fax (48-12) 21-95-86 in the single or double rooms. The price for the single room is 50$, and for double room is 35$ per person, including breakfast. The "Cracovia" hotel is situated near the historic center of Cracow and close to cultural attractions of the Old City. It is within walking distance (10 min.) to the new Campus of the Jagiellonian University, where the scientific sessions will take place. A limited number of lower priced rooms in student dormitories and hotels will also be available for interested participants. For example, "HOTEL NAUCZYCIELSKI" in Cracow (double rooms with shower) charges about 25 US$ per room (i.e. 12.5 US$ per person). The hotel has very convenient bus connections with the conference venue; they are situated within about 20 minutes walking distance. Organizers can help to make necessary reservations. However, due to hotel regulations, a confirmation of payment of the 40 US$ hotel deposit for each person is required. No reservation without the deposit will be made. The deposit should be transferred to the Symposium Bank Account given below, preferably together with the registration fee. REGISTRATION The cost of participation, including registration fee, lunches, banquet and reception, amounts to: a) Senior Participants (after Ph.D.): US$ 250 - if paid before April 15th US$ 300 - if paid after this date b) Students: US$ 100 - before April 15th US$ 125 - after April 15th c) Accompanying Persons: US$ 50 - covering banquet and reception only. The extra cost of a special programme for the accompanying persons, depending on their number, will be announced at the conference. For registration please fill in the enclosed form (it is included in the full version of the announcement which can be obtained from the MAILSERVER@ccl.net) and return it before April 15th, 1994. SCIENTIFIC PROGRAMME The scientific sessions will start at 9 a.m. on Monday, June 13th; the Symposium will end in the evening on Thursday, June 16th. All sessions will be held in the main lecture hall of the Faculty of Chemistry of the Jagiellonian University Ingardena 3 St., 30-060 Cracow A. Plenary and Invited Lectures Perhaps, due to a large number of already confirmed speakers, the Organizers will have to resort to parallel sessions of the invited lectures, devoted to more specific subjects, besides the plenary lectures covering topics of a more general interest. A number of shorter contributed talks are also foreseen within parallel sessions. The detailed schedule will be prepared (before the end of February) after the titles of all lectures are known. The current list of speakers: 1. J.A. Alonso (Valladolid, Spain) "Nonlocal Approximation to Exchange and Correlation. Application to Atoms and Clusters" 2. J. Andzelm (San Diego, USA) "Density Functional Method and Chemical Reactions" 3. R.F.W. Bader (Hamilton, Canada) "Chemistry and the Near Sighted Nature of the One-Electron Density Matrix" 4. E.J. Baerends (Amsterdam, the Netherlands) "Electron Correlation Induced Structure in the Kohn-Sham Potential" 5. A.D. Becke (Kingston, Canada) "Exchange-Correlation Approximations: Beyond the GGA" 6. R. Car (Lausanne, Switzerland) "Microscopic Modelling of Materials by Combining Molecular Dynamics with Density Functional Theory" 7. H. Chermette (Lyon, France) "Use of Gradient-Corrected Density Functionals in Chemistry: Which One to Choose" 8. J. Cioslowski (Tallahassee, USA) "Rigorous Definitions of Density Functional Theory Concepts from the Topological Theory of Atoms in Molecules" 9. B.M. Deb (Chandigarh, India) "Time-Dependent Quantum Fluid Dynamics Involving Electron Densities of Noble Gas Atoms" 10. B. Delley (Zurich, Switzerland) "DMol, Advances, Benchmarks, Applications" 11. D.A. Dixon (Wilmington, USA) "Molecular Properties from the Density Functional Theory" 12. R. Dreizler (Frankfurt am Main, Germany) "DFT of Field Theoretical Systems" 13. B. Dunlap (Washington, USA) "Density Functional Studies of Fullerenes and Special Magnetic Clusters" 14. G. Fitzgerald (Eagan, USA) title to be announced 15. L. Fritsche (Clausthal, Germany) "An Alternative Density Functional Theory of Superconductivity" 16. S.R. Gadre (Poona, India) title to be announced 17. J.L. Gazquez (Mexico City, Mexico) "The Hard and Soft Acids and Bases Principle: an Atom in Molecules Viewpoint" 18. P. Geerlings (Brussels, Belgium) "Finite Difference SCF and CI Calculations of Density Functional Theory Based Local and Global Molecular Properties (Hardness, Softness, Electronegativity): Applications to Reactivity Problems" 19. S.K. Ghosh (Bombay, India) title to be announced 20. M.S. Gopinathan (Madras, India) "Effect of Relativity and Correlation on Atomic Properties in the Density Functional Theory" 21. O. Goscinski (Uppsala, Sweden) title to be announced 22. E.K.U. Gross (Wuerzburg, Germany) "Time-Dependent Density Functional Theory and Excited States" 23. N.C. Handy (Cambridge, England) "Chemical Applications of Density Functional Theory" 24. R.A. Harris (Berkeley, USA) "Density Functional Theory in an Accelerated Reference Frame - Low Frequency Responses and Vector Potentials" 25. L. Hedin (Lund, Sweden) "Electron Correlation - Keeping Close to an Orbital Description" 26. W. Kohn (Santa Barbara, USA) "Density Functional / Wannier Function Theory for Systems of Very Many Atoms" 27. E. Kryachko (Namur, Belgium) "Towards a Formalism of Many-Electron Molecular Dynamics" 28. M. Levy (New Orleans, USA) title to be announced 29. E. Ludena (Caracas, Venezuela) "Local-Scaling Transformation Version of DFT" 30. J. Lundquist (Goteborg, Sweden) "Extension of DFT to Include van der Waals Forces" 31. N. March (Oxford, England) "Subtle Energies in Density Functional Theory: Correlation and Molecular Dissociation" 32. W. Mortier (Machelen, Belgium) "Charge Sensitivities within EEM: Applications to the Solid State and Catalysis" 33. |. Nagy (Debrecen, Hungary) "Exchange-Correlation Potential for Excited States (within the Fractional Occupation Approach)" 34. H. Nakatsuji (Kyoto, Japan) "Theoretical Model Study of Surface-Molecule Interactions and Reactions" 35. R.F. Nalewajski (Cracow, Poland) "Single- and Two-Reactant Reactivity Concepts in Charge Sensitivity Analysis" 36. R.G. Parr (Chapel Hill, USA) title to be announced 37. M. Parrinello (Zurich, Switzerland) title to be announced 38. R.G. Pearson (Santa Barbara, USA) "The Principle of Maximum Physical Hardness" 39. J.P. Perdew (New Orleans, USA) "Real-Space Analysis of the Exchange- Correlation Energy" 40. P. Politzer (New Orleans, USA) "Density Functional Calculations of Reaction Energetics" 41. J.A. Pople (Pittsburgh, USA) "A Comparison of Conventional and Density Functional Molecular Orbital Methods" 42. A. Rajagopal (Washington, USA) "A Time-Dependent Functional Theory Based on Nonequilibrium Liouvillean Quantum Superconducting and QED Systems" 43. V. Sahni (New York, USA) "The Work Formalism for the Determination of Electronic Structure" 44. D.R. Salahub (Montreal, Canada) "Molecular Modelling with DFT" 45. A. Savin (Paris, France) "Short-Range Correlation with Density Functionals" 46. L.J. Sham (San Diego, USA) "Some Efforts Beyond the Local Density Approximation." 47. V.H. Smith, Jr. (Kingston, Canada) "Coulomb and Fermi Holes" 48. A. Svane (Aarhus, Denmark) "Electronic Structure of Solids in the Self-Interaction Corrected Local Spin Density Approximation" 49. A.J. Thakkar (Fredericton, Canada) "Scattering Factors and Other Molecular Properties in the Local Density Approximation" 50. A. Theofilou (Athens, Greece) "DFT Theory for Excited States" 51. S.B. Trickey (Gainesville, USA) "Novel Use of the Local Density Approximation" 52. M.A. Whitehead (Montreal, Canada) "Quantum Field Theory and Correlation in DFT: Past, Present and Future" 53. W. Yang (Durham, USA) "Density Functional Approach to Large Molecules" 54. T. Ziegler (Calgary, Canada) "Exploring Potential Energy Surfaces Generated by DFT" B. Poster Presentations All participants are welcome to contribute to the Symposium Poster Sessions. Each poster session will begin with short (2/3 minutes) oral announcements. A maximum space of 0.9 m (width) x 1.1 m (height) is allocated for each poster presentation. D. Proceedings The lectures and poster contributions presented at the Symposium will be published in a special volume of the International Journal of Quantum Chemistry. All authors are requested to present the three copies of the manuscript at the Symposium reception desk to accommodate a fast reviewing already during the conference. For preparation of the manuscript see Instructions for Authors of the International Journal of Quantum Chemistry. E. Official Language The official language of the Symposium is English. CORRESPONDENCE All correspondence should be directed to the Symposium Secretaries: Doc. Dr. Hab. Ewa Broclawik, Dr. Janusz Mrozek, and Dr. Teresa Zyczkowska K. Guminski Department of Theoretical Chemistry Jagiellonian University R. Ingardena 3 30-060 Cracow Poland tel: (048)-12-33-63-77 ext 212 fax: (048)-12-34-05-15 email: dft@trurl.ch.uj.edu.pl ================================================================ Looking forward to see you in Cracow, Janusz Mrozek Secretary of the Organizing Committee ==================================================== Janusz Mrozek, Department of Theoretical Chemistry & Department of Computational Methods in Chemistry Faculty of Chemistry, Jagiellonian University 3 R. Ingardena St. 30-060 Cracow, Poland ====================================================