Pseudopotentials and Reactions.

100 Years Hellmann (1903-1938)

Satellite Workshop of the
XIth International Congress of Quantum Chemistry

Bonn, Germany
Friday, July 25 / Saturday, July 26, 2003

Portrait of Hans Hellmann
(painted by Tatjana Livshits, Moscow, according
to a photo of Hellmann, taken while lecturing
on his theorem in Hannover in 1933)


Hans Hellmann, who was born just 100 years ago, and who is frequently cited for the Hellmann-Feynman theorem and the first textbooks entitled 'Quantum Chemistry', may be even more important scientifically for inventing
- the pseudopotential or effective core potential approach and
- the diabatic and adiabatic representations of elementary chemical reactions.
During this after-conference workshop, some modern developments in the fields of effective core potentials, of reaction theory and of the history of quantum chemistry will be highlighted.


W.H.E. Schwarz (Siegen)
D. Andrae, J. Hinze (Bielefeld)
Supported by DFG


University Bonn, Main Building, Regina-Pacis-Weg 3

Friday, July 25


Arrival and Registration


Come together.
There is the possiblity to participate at the ICQC Conference Dinner, provided there is enough space. This dinner will be during a cruise on the River Rhine, on a ship for a maximum of 350 people. Priority in order of application.
The fee for the dinner is 45 EUR per person, you may pay this together with your registration fee for the Hellmann workshop.

Saturday, July 26

1st session: Pioneering Quantum Chemistry


Chair: H.Gg. Wagner (Göttingen / D).

09:15 -- 9:30

W.H.E. Schwarz (Siegen / D)
Hans Hellmann: Quantum Chemistry in the Early Thirties

09:30 -- 10:10

R. Zahradník (Praha - Prague / CZ)
Hans Hellmann: Life Story of a Scientist in the 20th Century

10:10 -- 10:40

H. Rechenberg (München - Munich / D)
Quantum Mechanics, Quantum Chemistry and Politics (1926-1939)

10:45 -- 11:15

-- Coffee Break --

2nd session: Quantum Mechanics of the Valence-Shell -- Effective Core Potentials

Chair: J. Hinze (Bielefeld / D)

11:15 -- 11:45

D. Andrae (Bielefeld / D)
ECPs -- 70 Years of Development

11:45 -- 12:15

M. Dolg (Köln - Cologne / D)
Modern Pseudopotentials

12:15 -- 12:45

L. Seijo (Madrid / E)
Embedding Model Potentials

12:45 -- 14:00

-- Break for Lunch in Nearby Restaurants --

3rd session: Dynamics and Reactions

Chair: L. Zülicke (Potsdam / D)

14:00 -- 14:30

A.L. Tchougreeff (Moskva - Moscow / RUS )
Hybridization and Deductive Molecular Mechanics

14:30 -- 15:00

P. Pulay (Fayetteville, AR / USA)
The Molecular Dynamics in Internal Coordinates and Fock Matrix Dynamics

15:00 -- 15:30

J.-C. Lorquet (Liège / B)
Non-adiabatic Interactions: Doing Hellmann Justice


Concluding Remarks


For details see the informations on the XIth ICQC. The workshop will be held at the same place (on Saturday) where the ICQC takes place until Friday, July 25.
Those of you, who want to participate in the Satellite Conference on Relativistic Effects in Heavy-Element Chemistry (REHE2003) in Berlin, July 28-30, 2003, may go from Bonn to Berlin on Sunday, July 27.


You may register via internet (20 EUR) or during the ICQC (30 EUR).


Hotels search in Bonn can be made by;
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Payment Information

Unfortunately there is no possibility for payment with a credit card. Payment should be made by bank transfer. All payment must be made in Euro (EUR).
Since there are extra charges on money transfer between different countries, your payment has to include these extra charges (bank fees).
Please remember to identify your money transfer with
your name and Reason/Verwendungszweck: Hellmann

Bank transfer within Germany

No extra charge. Transfer to:
Konto-Inhaber / Owner of the account - Dr. W.H.E. Schwarz
Kontonummer / Account number - 21517065
BLZ / Bank code - 46050001
Bank name - Sparkasse Siegen (address: Morleystr. 2-6, D-57072 Siegen)

Bank transfer via European mass payment (AZV)

The extra charge is 3.50 EUR.
Owner of the account, account number, BLZ/bank code, bank name as above,
instead of bank code and account number (see above) you may give the
IBAN: DE 95 460 5000 100 2151 7065

Bank transfer via S.W.I.F.T

The extra charge is 7.50 EUR (up to a total amount of 40 EUR),
10 EUR (up to a total amount of 240 EUR) or 13 EUR (above 240 EUR).
Owner of the account, account number, bank name, German bank code as above,

Finally you may pay by cash during the ICQC.