Research Explorer

Project

Theoretical study of the atom in the molecule
Code
01J08809
Duration
01 January 2009 → 31 August 2014
Funding
Regional and community funding: Special Research Fund
Research disciplines
  • Natural sciences
    • Applied mathematics in specific fields
    • Astronomy and space sciences
    • Atomic and molecular physics
    • Classical physics
    • Materials physics
    • Mathematical physics
    • Quantum physics
Keywords
quantum chemistry quantum mechanics theoretical chemistry
 
Project description
 

In depth study of the atom in the molecule and development of methods for atom condensed density matrices. Evaluation of quantum mechanical expectation values for atoms in molecules.