Electronic Structure and Magnetism

Fundamentals of density functional theory, related approximations and numerical methods relativistic theory self-interaction correction LSDA+U Orbital polarization corrections excited states minimum basis methods ( FPLO code)
Connection of density functional and model theories crystal field model molecular field model Heisenberg model t-J model Anderson model

Density functional calculations

• on different classes of materials (transistion metals, lanthanides, actinides, intermetallic compounds, cuprates, oxychlorides, borocarbides, intercalation compounds)
• of various properties (photoemission, neutron spectra; magentic ground state and phase transitions; magneto-resistance, magneto-crystalline anisotropy, susceptibilities etc.)
• for bulk and surfaces, ordered and disordered systems

Low dimensional quantum spin systems

• exact diagonalization
• estimation of model parameters from DFT calculations

Involved scientists:

• Dr. Hemchandra Kandpal
• Dr. Stefan-Ludwig Drechsler
• Prof. Dr. Helmut Eschrig
• Dr. Klaus Koepernik
• Dr. Michael Kuzmin
• Dr. Jiri Malek (email: j.malek at the domain ifw-dresden.de)
• Carsten Neise
  
• Ulrike Nitzsche
• Dr. Ingo Opahle
• PD Dr. Manuel Richter
• Dr. Helge Rosner
• Stephan Schönecker
• Dr. Manfred Taut
• Dr. Ruijuan Xiao
• Hongbin Zhang