Fourth Congress of the


9-16 July, 2002
Marly-le-Roi, France

International Scientific Committee

Honorary Chairs : Pierre-Gilles de GENNES (ESPCI, Paris, France)
             Ilya PRIGOGINE (ULB, Brussels, Belgium)
             Raymond DAUDEL (European Academy, Paris, France)
            Janos LADIK (University of Erlangen, Germany)

Chair : Jean MARUANI (CNRS, Paris, France)

Cochairs : Erkki BRANDAS (University of Uppsala, Sweden)
           Roland LEFEBVRE (UPMC, Paris, France)
           Yves G. SMEYERS (CSIC, Madrid, Spain)
           Stephen WILSON (RAL, Oxford, England)

Scientific council :
Ad van der AVOIRD (Nijmegen, Netherlands)
Rodney J. BARTLETT  (Gainesville, FL, USA)
Mikhail V. BASILEVSKY (Moskva, Russia)
Ramon CARBO DORCA  (Girona, Spain)
Petr CARSKY (Prague, Czechia)
Miguel CASTRO  (Mexico City, Mexico)
Lorenz S. CEDERBAUM (Heidelberg, Germany)
Jiri CIZEK (Waterloo, ON, Canada)
Gerardo DELGADO BARRIO (Madrid, Spain)
Kimihiko HIRAO (Tokyo, Japan)
Joshua JORTNER (Tel Aviv, Israel)
Raphael D. LEVINE (Jerusalem, Israel)
Alfred MAQUET (Paris, France)
Matey MATEEV (Sofia, Bulgaria)
Sean P. McGLYNN (Baton Rouge, LA, USA)
Roy McWEENY (Pisa, Italy)
William H. MILLER (Berkeley, CA, USA)
Nimrod MOISEYEV (Haifa, Israel)
Debashis MUKHERJEE (Calcutta, India)
Hiroshi NAKATSUJI (Kyoto, Japan)
M.A.C. NASCIMENTO (Rio de Janeiro, Brazil)
C.A. NICOLAIDES (Athens, Greece)
Josef PALDUS (Waterloo, ON, Canada)
Alejandro PALMA (Puebla, Mexico)
Martin QUACK (Zürich, Switzerland)
Jacek RYCHLEWSKI (Poznan, Poland)
Sandor SUHAI (Heidelberg, Germany)
Peter SURJAN (Budapest, Hungary)
R. Guy WOOLLEY (Nottingham, UK)

National Organizing Committee

Honorary Chair : Raymond DAUDEL (European Academy, Paris, France)

Chair : Jean MARUANI (CNRS, Paris, France)

Cochair : Roland LEFEBVRE (UPMC, Paris, France)

Scientific council :
Osman ATABEK (CNRS, Orsay, France)
Gaston BERTHIER (IBPC, Paris, France)
Christian MINOT (UPMC, Paris, France)
Jean-Louis RIVAIL (University of Nancy, France)
Pierre TURQ (UPMC, Paris, France)

Registration and abstracts :
Fabrice BOURNEL (LCPMR, Paris, France)
Nathalie CAPRON  (LCPMR, Paris, France)
Stéphane CARNIATO  (LCPMR, Paris, France)
Ahmed KHOUDIR (LCPMR, Paris, France)
Alexander KULEFF (LCPMR, Paris, France)

Web site :
Marie-Françoise FONTAINE (LCPMR, Paris, France)

General administration :
Yvette MASSEGUIN (LCPMR, Paris, France)

General information

    The Congress will be held in the seventh-century town of Marly-le-Roi, which lies to the West of Paris in the Yvelines district. It can be reached by train or by car in half an hour from central Paris. Marly-le-Roi was used as a Summer resort by the Sun King, Louis XIV. It is situated between the historic centres of Saint-Germain-en-Laye (the birthplace of Louis XIV and home to Musée des Antiquités Nationales, created by Napoleon III) and Versailles (with its famous palace, built by Louis XIV, and the site of many historical events). Later on, Marly-le-Roi attracted writers and artists such as the novelist Alexandre Dumas, the sculptor Aristide Maillol or the famous impressionist painter Alfred Sisley. The meeting will take place in an academic residence operated by the "Youth National Institute" (INJEP) and set in beautiful parkland, conveniently close to the railway station. Participants will be housed in ** rooms of the Institute or in hotels in Marly-le-Roi or in nearby towns.

    The programme of ICTCP-IV will accommodate a wide range of both theoretical and computational, quantum and statistical techniques, including their methodologies and applications to the various fields of chemical physics:

 1 - ESAM: Electronic Structure of Atoms and Molecules (with a stress on modern techniques including correlation, relaxation and relativistic effects: MCSCF, CI, MBPT, CCM, DFT, MCDF, ...)
 2 - AMSI: Atomic and Molecular Spectra and Interactions with Photons or with Electric or Magnetic Fields (with special notices to relaxation processes, coherent control, non-linear effects and intense-field effects) ; Astrophysical Chemistry
 3 - AMIC: Atomic and Molecular Interactions, Collisions and Reactions (including half collisions and angular distributions in fragmentations)
 4 - AMCP: Atomic and Molecular Complexes and Clusters ; Crystals and Polymers
 5 - SIPC: Surfaces and Interfaces, Physi / Chemi-sorption ; Thin films, Solvent effects ; Homogeneous and Heterogeneous Catalyses
 6 - ECPC: Electrochemistry  ;  Photochemistry ; Radiochemistry
 7 - CTRM: Chemical Thermodynamics, Statistical Mechanics and Kinetics, Chaos Dynamics, Reaction Mechanisms (with a stress on potential-energy surfaces and real-time dynamics)
 8 - MB: Molecular Biophysics (with special notices to conformational changes, transfer processes, molecular mechanics and genetic algorithms)
 9 - MM: Molecular Materials (including semi-, normal- and supra-conductors, ferro- and ferri-electrics and magnets, nano-structures, quantum dots, and nonlinear optical materials)

    The detailed list of specific topics actually covered by ICTCP-IV will be displayed in the section "Scientific programme".

    This year the length of the Congress will be increased to seven days in order to allow for more and longer communications. Participants will be expected to arrive on Tuesday, 9 July, 2002. Registration will take place from 15:00 to 19:00. The opening session will start at 20:30. The closing session of the meeting will take place after lunch on Tuesday, 16 July, 2002. Saturday 13 (evening) and Sunday 14 (morning) participants may attend the celebration of the French National Holiday (Bastille Day). Participants travelling by air may benefit from reduced rates.

    Participants should note that Marly-le-Roi is a small town with only few available hotel rooms. The hotels closest (5-10 min walk) to INJEP are "Le Rallye" - less than 10 * rooms for about 30 Euros per night - and "Les Chevaux de Marly" - less than 20 *** rooms for about 60 Euros per night - (excluding meals). There are also ** to **** rooms (between 40 and 150 Euros per night) available in residential towns around Marly-le-Roi (30-60 min by foot and/or bus or train). Participants wishing to reserve rooms in these hotels (or in Paris) before, during or after the Congress should contact the local organizers or their travel agency at their earliest convenience. However, it should be recalled that July 14 is the French National Holiday and that hotels may be booked up a long time in advance.

Travel information

    Local travelling times to Marly-le-Roi range from about 30 min from central Paris by car to 2 h from Roissy, Charles de Gaulle airport by bus then metro (RATP) and train (SNCF). Prices given below are for guidance only and are subject to change without notice (1 Euro = 6.56 FF = 0.90 USD).

By air:

    Participants coming by plane will arrive at one of two airports / nine terminals depending on the airliner and flight: Orly / Sud or Ouest (about 10 km south-east of Paris) or, more often, Roissy, Charles de Gaulle / T1, T9, 2A, 2B, 2C, 2D or 2F (about 30 km north-east of Paris). There they can take a taxi to gare St-Lazare (about 25 Euros from Orly or 35 Euros from Roissy). At gare St-Lazare they will catch a train (every 30 min) towards "St-Nom-la-Bretèche", which will take them through "La Défense" and "Bougival" to Marly-le-Roi (about 35 min, 5.8 Euros).

    INJEP is located 200 m from the station (the address is given below). If the weather is fine and one is not too heavily loaded, the walk leading to INJEP can be very pleasant. However, there will be a shuttle on July 10th between 15h00 and 19h00.

    Participants can also take a bus (RATP) or a train (SNCF) from the airport (you can buy a ticket for the final destination and not exit at the transfert station) :
  - Orlybus (every 15 min) will take them (in about 30 min, 5.0 Euros) to the subway station "Denfert-Rochereau", where the RER B (fast transit train, about 2.0 Euros) will take them to "Châtelet-les-Halles"; there they must transfer to RER A towards "La Défense". At "La Défense" they will catch a train to Marly-le-Roi (about 25 min, 4.2 Euros).

  - Orlyval (every 15 min) is an automatic minitrain that takes them (in 8 min, 9.5 Euros) to "Antony", where they can easily transfer to RER B till "Châtelet-les-Halles" then to RER A till "La Défense". At "La Défense" they will catch a train to Marly-le-Roi (about 25 min, 4.2 Euros).

  - Roissybus (every 15 min) will take them (in 45-60 min, 7.5 Euros) to the subway station "Opéra-Auber", where the RER A will take them directly to "La Défense". There they will catch a train to Marly-le-Roi (about 25 min, 4.2 Euros).

  - RER B towards Paris (every 15 min) will take them south (in 30 min, 8.7 Euros) to "Châtelet-les-Halles", where they will transfer to RER A to have a ride through "Opéra-Auber" to "La Défense". From there they will catch a train to Marly-le-Roi (about 25 min, 4.2 Euros).

    An alternative to catching a train at "La Défense" to Marly-le-Roi is to stay on RER A till terminus at Saint-Germain-en-Laye and there catch a taxi (10 Euros) to INJEP in Marly-le-Roi.

By train:

    Participants coming by train will arrive at one of six railway stations, depending on their origin:
         Gare du Nord (e.g. from Belgium);
         Gare de l'Est (e.g. from Germany);
         Gare de Lyon (e.g. from Italy);
         Gare d'Austerlitz (e.g. from Spain);
         Gare Montparnasse (e.g. from south/west France);
         Gare St-Lazare (e.g. from north/west France).
    Those coming from England by 'Eurostar' will arrive at Gare du Nord.

    Each railway station is served by a RATP "metro" (subway) station. A single ticket costs 1.3 Euros, a pack of ten tickets 8.7 Euros. At the "metro" ticket office you can ask for a free "plan" (map) showing the subway, bus and RER (fast transit train) networks. This will help you find the best route to Gare St-Lazare. Alternatively, a taxi from the railway station to gare St-Lazare will cost about 7-15 Euros. At gare St-Lazare you should take a train (every 30 min) towards "St-Nom-la-Bretèche", which will take you through "La Défense" and "Bougival" to Marly-le-Roi (about 35 min, 5.8 Euros).

By bus:

    Participants coming by bus will usually arrive at one of Paris' gates or stations or, in rare cases, in the center (e.g. place du Panthéon). There the simplest thing to do is to catch a taxi (about 8-16 Euros) to Gare St-Lazare. At gare St-Lazare you should take a train (every 30 min) towards "St-Nom-la-Bretèche", which will take you through "La Défense" and "Bougival" to Marly-le-Roi (about 35 min, 5.8 Euros).

    If you choose to come through Saint-Germain-en-Laye you may also take a taxi to Marly-le-Roi (about 10 Euros).

By car:

    Participants coming by car should take Paris "boulevard périphérique" (circular freeway), then exit to freeway A13 towards "Rouen". After about 12 km they will exit freeway A13 at "Versailles-Ouest", then drive towards "St-Germain-en-Laye" until Marly-le-Roi. There, they  should look for the sign "Gare" (railway station): the entrance gate of INJEP is 200 m from the station, close to the swimming pool.

The address of INJEP is : 9/11 rue Paul-Leplat (near Parc du Val-Flory), Marly-le-Roi.

    If you are interested in attending the Congress then please return the form below by e-mail to with a copy to, or reply by telefax to Pr Jean Maruani at the number +33 1 4427 6226 with a copy to Pr Roland Lefebvre at the number +33 1 4580 4185 or by regular mail.

Prices and payment

    The number of participants at the Congress is limited and early application and payment is recommended. The total cost of participation in the Congress for seven days, including registration, the social programme, and room and board for resident participants and their dependents, is as follows (1 Euro = 6.56 FF = 0.9 USD) :

  Resident participants and their dependents
                Participants in a single room :                                     800 Euros
                Participants sharing a double room :                           650 Euros
                Accompanying dependents in a single room :             550 Euros
                Accompanying dependents sharing a double room :   400 Euros
  Non-resident participants and their dependents
                Participants not housed at INJEP :                                     315 Euros
                Dependents participating in the social programme :             115 Euros
                Additional charge for 10 lunch or dinner meals at INJEP :    95 Euros

    The cost for participants not housed at INJEP includes registration, the social programme, and coffee breaks. Registration includes the booklet of abstracts and a subscription at reduced rate to the relevant part of the Congress proceedings. The provisional social programme includes a reception and a concert of classical and / or contemporary music. There should also be a visit to the Archeological Museum of St-Germain-en-Laye and / or to Alexandre Dumas' castle in Marly-le-Roi. The banquet dinner will most likely be held at the French Senate House (Jardin du Luxembourg) or in Pavillon Dauphine (Bois de Boulogne), depending on the number of participants.

    Non-resident participants and dependents can have lunch AND dinner meals at INJEP by adding the BULK amount of 95 Euros to their fees (N.B. No refunds are possible for missed lunch or dinner meals). Those not registered in advance for meals will not be able to use the restaurant at INJEP. However, there is a choice of small French, Greek, Chinese and other restaurants (for 10-25 Euros a meal) within walking distance of INJEP.

    The above costs DO NOT INCLUDE accident or medical insurance : every participant should carry his/her own accident and medical coverage from his/her home institution or company for the whole duration of the meeting.

    Payment should be made before April 1st, 2002. After this date a 5 % surcharge may be applied. Early bird registrants will benefit of a 10% discount on the above fees if their payment is received before November 30, 2001.

    Payment should be made by SWIFT money transfer in Euros to "CMOA", account # 30004 00810 00004727063 46 in "BNP PARIS GOBELINS" (75013 PARIS, France), SWIFT address BNPAFRPPPGB. The above amounts being net costs, the bank of the sender should be asked to put all change and transfer fees to the charge of the sender. In order to reduce bank fees it is suggested to make joint transfers for people coming together. In the above, the first number (30004) is the bank code, the second (00810) is the agency code, the third (00004727063) is the account number of CMOA (Centre de Mécanique Ondulatoire Appliquée), and the last one (46) the RIB key (relevé d'identité bancaire). Alternative payment can be made by Eurocheque in Euros (then add 10 Euros for extra bank fees paid in Paris) made payable to CMOA and sent to:

     Dr Jean MARUANI
     Laboratoire de Chimie Physique
     11, rue Pierre et Marie Curie
   75252 PARIS CEDEX 05, France
     (Tel: +331 4427 6430 or 6633)
     (Fax: +331 4427 6226)


    A small number of bursaries will be available to cover part of the living (but not travel) expenses of younger participants from developing countries. Applicants should typically be less than 40 years old and provide a curriculum vitae. Recipients of bursaries will generally be allocated double rooms and not receive a free copy of the Congress proceedings.

    In principle, INJEP houses only international groups attending seminars or congresses. However, it may be possible to extend your stay for one day immediately before and / or after the Congress, particularly if you are staying in a double room; but reservation and payment must be made prior to the Congress and through the local organizers. The cost for an extra night before or after the Congress will be of 60 Euros for a single room and 40 Euros for a shared room (board included).

Application form

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I would like to attend the Fourth Congress of the International Society for Theoretical Chemical Physics to be held in Marly-le-Roi (Paris, France), on 9-16 July, 2002.

Prefix:    Mr / Ms / Dr / Pr / Other

Given Name: _______________________________________

Family Name: _______________________________________
Sex:    M / F
Country:        _______________________________________

Research field: ______________________________________________

Affiliation: ______________________________________________
Address: ______________________________________________
Zip Code:  ______________________________________________
City:  ______________________________________________
Country: ______________________________________________
Telephone:      _______________________________________
Telefax:        _______________________________________
E-mail:         _______________________________________

As numbers are limited, an early response is desirable. Please indicate your accommodation requirements (accommodation will be allocated in the order received). Registration is definitive after payment is received.

Resident participants -

     I would prefer / require a single room:          Yes / No
     I would prefer / require a shared room:          Yes / No
         (Please indicate whom you would like to share with, if appropriate)
     I shall be accompanied:                                   Yes / No

Indicate if you wish to extend your stay at INJEP immediately before and/or after the Congress, with the exact dates of arrival and departure:

Non-resident participants -

     I would like to take meals (Lunch and Dinner) at INJEP:  Yes / No

     All participants paying the full registration fees will receive a free copy of the relevant part of the Congress Proceedings for their personal use.

     Please indicate below any special dietary requirements (we will try to comply to them depending on the possibilities of INJEP):

If you would like to make a presentation at the Congress then please complete the following:

     I would like to give a talk entitled



in the session on (give initials)  ___________

Author(s) (please underline the speaker)


     I would like to give a poster entitled



Author(s) (please underline the presentator)


     The proceedings of ICTCP-IV will be published in part in IJQC (for research papers specifically oriented towards quantum chemistry) and in part in PTCP (for advanced review or more general chemical physics papers). However, authors'wishes will, as much as possible, be taken into account  (please mark off below).

    * I would prefer my contribution to be published in:

    "Progress in Theoretical Chemistry and Physics" (PTCP, Kluwer) : yes / no

    "International Journal of Quantum Chemistry" (IJQC, Wiley) : yes / no

    (If you give no indication the editors will make the best choice).

     Any comments or suggestions that you may have at this stage would be most welcome:


Signed:                                                                Date:

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Previous congresses

        - The First Congress of the International Society for Theoretical Chemical Physics (ICTCP-I) was organized by Prof. Ramon Carbo Dorca at the Institute of Computational Chemistry in Girona, Spain, from June 28 to July 03, 1993.

        - The Second Congress of the International Society for Theoretical Chemical Physics (ICTCP-II) was organized by Prof. Sean P. McGlynn of Louisana State University at New Orleans, LA, USA, from April 09 to 13, 1996.

        - The Third Congress of the International Society for Theoretical Chemical Physics (ICTCP-III) was organized by Prof. Miguel Castro at Universidad Nacional Autonoma de Mexico, Mexico City, Mexico, from November 08 to 13, 1999.

        Professor Janos Ladik, the founder of ISTCP, was a co-organizer of these three meetings.

         These meetings gathered each between 120 and 250 participants. Their proceedings were published as special issues of the International Journal of Quantum Chemistry (IJQC), Wiley, USA :

ICTCP-III (part I of II), ICTCP-III (part II of II)

ICTCP-II (part I of III), ICTCP-II (part II of III), ICTCP-II (part III of III)

         The proceedings of ICTCP-IV (Marly-le-Roi, France, July 2002) will be published in part in IJQC again (for research papers specifically oriented towards quantum chemistry) and in part in Progress in Theoretical Chemistry and Physics (PTCP), a book series published by Kluwer, Holland (for advanced review or more general chemical physics papers). Contributors will be asked to propose their preferred option.