Pseudopotentials
and Reactions.
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100
Years Hellmann (1903-1938)
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Satellite Workshop of the
XIth
International Congress of Quantum Chemistry
Bonn, Germany
Friday, July 25 / Saturday,
July 26, 2003
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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)
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Topics
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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.
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Organisation
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W.H.E.
Schwarz (Siegen)
D.
Andrae, J. Hinze
(Bielefeld)
Supported by DFG
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Programme
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University Bonn,
Main Building, Regina-Pacis-Weg 3
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Friday, July 25
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14:00
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Arrival and Registration
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19.30
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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.
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Saturday, July 26
1st session:
Pioneering Quantum Chemistry
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09:00
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Chair: H.Gg. Wagner (Göttingen /
D).
Opening
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09:15 -- 9:30
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W.H.E. Schwarz (Siegen / D)
Hans
Hellmann: Quantum Chemistry in the Early Thirties
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09:30 -- 10:10
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R. Zahradník (Praha - Prague / CZ)
Hans
Hellmann: Life Story of a Scientist in the 20th Century
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10:10 -- 10:40
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H. Rechenberg (München - Munich /
D)
Quantum Mechanics, Quantum Chemistry and Politics
(1926-1939)
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10:45 -- 11:15
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-- Coffee Break --
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2nd session: Quantum Mechanics of the
Valence-Shell -- Effective Core Potentials
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Chair: J. Hinze
(Bielefeld / D)
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11:15 -- 11:45
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D. Andrae (Bielefeld / D)
ECPs -- 70
Years of Development
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11:45 -- 12:15
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M. Dolg (Köln - Cologne / D)
Modern
Pseudopotentials
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12:15 -- 12:45
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L. Seijo (Madrid / E)
Embedding Model
Potentials
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12:45 -- 14:00
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-- Break for Lunch in Nearby Restaurants --
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3rd session: Dynamics and Reactions
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Chair: L. Zülicke
(Potsdam / D)
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14:00 -- 14:30
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A.L. Tchougreeff (Moskva - Moscow / RUS
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Hybridization and Deductive Molecular Mechanics
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14:30 -- 15:00
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P. Pulay (Fayetteville, AR / USA)
The
Molecular Dynamics in Internal Coordinates and Fock Matrix
Dynamics
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15:00 -- 15:30
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J.-C. Lorquet (Liège / B)
Non-adiabatic
Interactions: Doing Hellmann Justice
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15:45
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Concluding Remarks
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Location
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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.
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Registration
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You may register
via internet (20 EUR) or during the ICQC (30 EUR).
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Accomodation
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Hotels search in Bonn can be made by
www.carisma-engine.de;
or
by using the forms to be downloaded from www.ICQC.uni-bonn.de
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Payment
Information
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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
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Bank transfer within Germany
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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)
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Bank transfer via European mass
payment (AZV)
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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
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Bank transfer via S.W.I.F.T
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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,
S.W.I.F.T.-Code: WELA
DED1 SIE
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