Search Results - "Ermler, W.C."

  • Showing 1 - 9 results of 9
Refine Results
  1. 1

    Relativistic Dirac–Fock atom properties for Z=121 to Z=138 by Zhou, Z., Kas, J.J., Rehr, J.J., Ermler, W.C.

    Published in Atomic data and nuclear data tables (01-03-2017)
    “…We present relativistic Dirac–Fock calculations of atomic properties for atomic numbers Z=121–138, extending a previous tabulation of Desclaux. The…”
    Get full text
    Journal Article
  2. 2

    Electric dipole transition moments and permanent dipole moments for spin–orbit configuration interaction wave functions by Roostaei, B., Ermler, W.C.

    Published in Computer physics communications (01-03-2012)
    “…A procedure for calculating electric dipole transition moments and permanent dipole moments from spin–orbit configuration interaction (SOCI) wave functions has…”
    Get full text
    Journal Article
  3. 3

    Ab initio study of GaAs surface passivation by sulfur by GAYEN, S, ERMLER, W. C, SANDROFF, C. J

    “…The GaAs(100) surface is modeled by using atomic clusters in order to study the effects of passivation with sulfur. Both the Ga- and the As-terminated surfaces…”
    Get full text
    Journal Article
  4. 4

    Imaging of colloidal gold on graphite by scanning tunneling microscopy: Isolated particles, aggregates, and ordered arrays by Womelsdorf, J. F, Ermler, W. C, Sandroff, C. J

    “…Gold colloidal suspensions have been deposited onto highly oriented pyrrolitic graphite and analyzed by using a scanning tunneling microscope (STM). The size…”
    Get full text
    Journal Article
  5. 5

    Parallel spin-orbit coupled configuration interaction by Tilson, J.L., Ermler, W.C., Pitzer, R.M.

    Published in Computer physics communications (01-06-2000)
    “…A parallel spin-orbit configuration interaction (SOCI) code has been developed. This code, named P-SOCI, is an extension of an existing sequential SOCI program…”
    Get full text
    Journal Article
  6. 6

    Ab initio study of quantum confinement effects in (PbI sub 2 ) sub 7 semiconductor clusters by Sawamura, Makoto, Ermler, W.C.

    Published in Journal of physical chemistry (1952) (04-10-1990)
    “…Molecular orbital theory is used in the context of ab initio Hartree-Fock calculations to study the origin of quantum confinement effects in layered Pb{sub…”
    Get full text
    Journal Article
  7. 7

    C sub 60 and its ions: Electronic structure, ionization potentials, and excitation energies by Chang, A.H.H., Ermler, W.C., Pitzer, R.M.

    Published in Journal of physical chemistry (1952) (14-11-1991)
    “…Ab initio restricted Hartree-Fock calculations were performed on the ground states and excited states of C{sub 60}, C{sub 60}{sup +}, C{sub 60}{sup {minus}},…”
    Get full text
    Journal Article
  8. 8

    Ab initio properties of electronic states of Be sub 69 by Ross, R.B., Kern, C.W., Pitzer, R.M., Ermler, W.C., Winter, N.W.

    Published in Journal of physical chemistry (1952) (04-10-1990)
    “…Results of ab initio Hartree-Fock calculations are presented for the nine-coordination-shell cluster Be{sub 69}. Binding energy, ionization potential,…”
    Get full text
    Journal Article
  9. 9