A CMA-CTCC workshop on computational quantum mechanics
From ab initio methods to density-functional theory
Time: January 13 2009, 8.30-17
Place: V205, CTCC, Department of Chemistry, UiO
Aim: Many-body problems in physics and chemistry are today studied using a variety of methods. On the one hand, the traditional many-body methods such as coupled cluster, configuration-interaction and Monte Carlo methods are continuously being refined and routinely applied to problems in quantum chemistry, nuclear, atomic, molecular and solid-state physics. On the other hand, recent developments in density-functional theory (DFT) have led to their widespread use in physics and chemistry, as a useful alternative to the more rigorous ab initio many-body methods. This workshop aims at bringing together people who work with different quantum-mechanical many-body methods, with an emphasis on the relationship between ab initio and density-functional theories.
Tentative program:
8.30-9.10: Trygve Helgaker, CTCC and Department of Chemistry: From ab initio methods to density-functional theory. Presentation foils.
9.10-9.50: Gaute Hagen, Oak Ridge National Laboratory, Coupled-cluster methods for medium heavy nuclei. Presentation foils.
9.50-10.30: Andy Teale, CTCC: The adiabatic connection: generating functionals from coupled-cluster theory. Presentation foils.
10.30-11.00: Coffee break
11.00-11.40: Simen Kvaal, CMA: Large-scale diagonalization methods for quantum dots. Presentation foils.
11.40-12.20: Hans Jørgen Jensen, University of Southern Denmark, Combining the best of ab initio methods with the best of density-functional theory. Presentation foils.
12.20-13.00: Lunch
13.00-13.40: Alessandro Soncini, CTCC: Molecules in strong magnetic fields
13.40-14.20: Sølve Selstø, CMA, Time-development of many-body wave functions. Presentation foils.
14.20-14.50: Coffee break
14.50-15.30: Michal Przybytek, CTCC: Correlation, relativistic, and adiabatic effects in interactions of metastable helium atoms. Presentation foils.
15.30-16.00: Rune Albrigtsen, Physics, UiO: Variational Monte Carlo methods for trapped atoms and electrons in two and three dimensions. Presentation foils.
16.00-17.00: Discussions and summary
Talks are 35mins + 5mins for discussion/questions
Organizers: Trygve Helgaker and Morten Hjorth-Jensen
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