Code
01T01908
Duration
18 August 2008 → 17 January 2009
Funding
Regional and community funding: Special Research Fund
Promotor
Research disciplines
-
Natural sciences
- Applied mathematics in specific fields
- Astronomy and space sciences
- Classical physics
- Materials physics
- Mathematical physics
- Quantum physics
- Theoretical and computational chemistry
- Other chemical sciences
Keywords
variational optimization
electronic structure problem
density matrix
Project description
Variational optimization of the second-order density matrix with applications to the electronic structure of molecules. Research into the concept of atoms in molecules, including possible partitions of the molecular first and second order density matrix over the constituent atoms.