Subject: Symposium: Thirty Years of the Density Functional Theory: Concep

From: <[email-masked]>
Date: Sat, 29 Jan 1994 12:49:46 MET+2

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:
    
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==================================================================

                   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: [email-masked]

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 [email-masked])
  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: [email-masked]
================================================================
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
====================================================