Arbeitsgebiete / Fields of Research

Complete Reference List

A few References cited above

  1. P. Hafner, W.H.E. Schwarz
    Pseudopotential approach including relativistic effects
    J. Phys. B 11 (1978) 217-233

    P. Hafner, W.H.E. Schwarz
    Atomic transition probabilities from the relativistic pseudopotential approach
    J. Phys. B 11 (1978) 2975-2999

    M. Esser
    Direct MRCI Method for the Calculation of Relativistic Many-Electron Wavefunctions. I. General Formalism
    Int. J. Quantum Chem. 26 (1984) 313-338

    A. Rutkowski, W.H.E. Schwarz, R. Koslowski
    Relativistic virial theorem for diatomic molecules. Application to H2+
    Theor. Chim. Acta 87 (1993) 75-87

    W.H.E. Schwarz, A. Rutkowski, S.G. Wang
    Understanding Relativistic Effects in Chemistry
    Int. J. Quantum Chem. 35 (1996) 641-653

    A. Rutkowski, W.H.E. Schwarz, R. Kozlowski, J. Beczek, R. Franke
    Effective Hamiltonian for near-degenerate states in relativistic direct pertubation theory. II. H2+-like Systems
    J. Chem. Phys. 109 (1998) 2135-2143

  2. P. Schwerdtfeger, M. Dolg, W.H.E. Schwarz, G.A. Bowmaker,P.D.W. Boyd
    Relativistic effects in gold chemistry. I. Diatomic Gold Compounds
    J. Chem. Phys. 91 (1989) 1762-1774

    M.S. Liao, W.H.E. Schwarz
    Effective radii of the monovalent coinage metals
    Acta Cryst. B 50 (1994) 9-12

    K. Molzberger, W.H.E. Schwarz
    Numerical investigation of different orders of relativistic effects in atomic shells
    Theor. Chim. Acta 94 (1996) 213-222

    S.G. Wang, W.H.E. Schwarz
    Lanthanide Diatomics and Lanthanide Contractions
    J. Phys. Chem. 99 (1995) 11687-11695

    M.S. Liao, W.H.E. Schwarz
    On the Structural Data of Hg(I) Halides
    J. Alloys Comp. 246 (1997) 124-130

  3. U. Nielsen, R. Haensel, W.H.E. Schwarz
    The Electronic and Geometric Structure of the Free XeF6 Molecule
    J. Chem. Phys. 61 (1974) 3581-3586

    P. Scheurer, A.M. Tian, W.H.E. Schwarz
    Metastable Nitrogen Clusters
    J.Phys. Chem. (2000) submitted

    S.G. Wang, W.H.E. Schwarz
    Simulation of nondynamical correlation in density functional calculations by the optimized fractional orbital occuplation approach. (Application to the potential energy surfaces of O3 and SO2 )
    J. Chem. Phys. 95 (1996) 4641-4650

    S.G. Wang, W.H.E. Schwarz
    Density functional study of first row transition metal dihalides.
    J. chem. Phys. 109 (1998) 7252-7262

  4. W.H.E. Schwarz, K. Ruedenberg, L. Mensching
    Chemical Deformation Densities. 1. Principles and Formulation of Quantitative Determination
    J. Am. Chem. Soc. 111 (1989) 6926-6933

    L. Mensching, W. von Niessen, P. Valtazanos, K. Ruedenberg, W.H.E. Schwarz
    Chemical Deformation Densities. 2. Small Molecules
    J. Am. Chem. Soc. 111 (1989) 6933-6941

    S. Irle, H.L. Lin, J.E. Niu, W.H.E. Schwarz
    Electron Density and Chemical Bonding: The Shape of Independent Atoms in Molecules
    Ber. Bunsenges. Phys. Chem. 96 (1992) 1545-1551

    L.L. Miller, R.A. Jacobson, K. Ruedenberg, J.E. Niu, W.H.E. Schwarz
    Oriented Atoms Least Squares. I. Methodology
    Acta Cryst. A (2000) submitted

  5. J. Meister, W.H.E. Schwarz
    Principal Components of Ionicity
    J. Phys. Chem. 98 (1994) 8245-8252

  1. W.H.E. Schwarz
    X-Ray Absorption Spectroscopy of Free Molecules.
    Angew. Chem. Int. Ed. 13 (1974) 454-465; Angew. Chem. 86 (1974) 505-516

    W.H.E. Schwarz
    Interpretation of the Core Electron Excitation Spectra of Hydride Molecule and the Properties of Hydride Radicals
    Chem. Phys. 11 (1975) 217-228

    W.H.E. Schwarz, T.C. Chang, U. Seeger, K.H. Hwang
    Core Excitations of Symmetrical Aromatic Molecules.
    Specific Correlations in the Valence Shell and Localization in the Core Shells
    Chem. Phys. 117 (1987) 73-89