Peter Margl, Karlheinz Schwarz, et al.
The Journal of Chemical Physics
The Xαβ exchange approximation is applied to atoms and its universal (Z-independent) character is demonstrated. Its practical applicability to molecules and solids is critically analysed by a comparison with the Xα- and HF approximations. The influence of the modifying function which is needed to make the exchange inhomogeneity correction (β-term) finite for large r is studied. The validity of the virial theorem is discussed. © 1975.
Peter Margl, Karlheinz Schwarz, et al.
The Journal of Chemical Physics
Peter Margl, Karlheinz Schwarz, et al.
The Journal of Chemical Physics
Ernst Nusterer, Peter E. Blöchl, et al.
Angewandte Chemie (International Edition in English)
Karlheinz Schwarz, Ernst Nusterer, et al.
Catalysis Today