Search Results - "Ermler, W.C."
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Relativistic Dirac–Fock atom properties for Z=121 to Z=138
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…”
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2
Electric dipole transition moments and permanent dipole moments for spin–orbit configuration interaction wave functions
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…”
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3
Ab initio study of GaAs surface passivation by sulfur
Published in Journal of physical chemistry (1952) (1991)“…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…”
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Imaging of colloidal gold on graphite by scanning tunneling microscopy: Isolated particles, aggregates, and ordered arrays
Published in Journal of physical chemistry (1952) (1991)“…Gold colloidal suspensions have been deposited onto highly oriented pyrrolitic graphite and analyzed by using a scanning tunneling microscope (STM). The size…”
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5
Parallel spin-orbit coupled configuration interaction
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…”
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6
Ab initio study of quantum confinement effects in (PbI sub 2 ) sub 7 semiconductor clusters
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…”
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7
C sub 60 and its ions: Electronic structure, ionization potentials, and excitation energies
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}},…”
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Ab initio properties of electronic states of Be sub 69
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,…”
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Interpretation of scanning tunneling microscope images showing anomalous periodic structures
Published in Journal of physical chemistry (1952) (01-10-1991)Get full text
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