WORKSHOPS

1^st SCIENTIFIC COMPUTING SEMINAR

Numerical Analysis in Quantum Chemistry

Christian-Albrechts-University of Kiel, Germany

DATE

June 28th to 30th, 2004

ORGANISATION

Prof. Dr. Reinhold Schneider (CAU Kiel)

Prof. Dr. Dr. h. c. Wolfgang Hackbusch (MPI Leipzig)

Prof. Dr. Bernd Hartke (CAU Kiel)

SITE

Christian-Albrechts-University in Kiel
Ludewig-Meyn-Str. 2
Seminarroom Ü2

SEMINAR TOPICS

The seminar focuses on recent development in numerical analysis related to problems in electronic structure calculation e.g.

• Linear scaling methods for Hartree-Fock and Kohn Sham equations,,
• Linear scaling in post Hartree -Fock methods,
• density matrix methods,
• R₁₂-methods
• efficient numerical methods for non-local operators like H-matrices and fast multipol methods,
• wavelet techniques and
• sparse grid approximation for high dimensional problems,
• reaction dynamics,
• multiconfiguration time-dependent Hartree and
• reaction path/surface methods.

PROGRAM

FURTHER INFORMATIONS

http://www.numerik.uni-kiel.de/scs/