Project

Electronic structure calculations in molecular systems using the density functional theory for quasiparticles

Code
3F004908
Duration
01 October 2008 → 30 September 2012
Funding
Regional and community funding: Special Research Fund, Research Foundation - Flanders (FWO)
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
    • Physical chemistry
Keywords
quasiparticles density funcitonal theory Greens function theory
 
Project description

Ab initio Green's function calculations on molecular systems. Optimization of QP-DFT functionals.