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  • 1985-1989  (3)
  • Rare earth elements  (2)
  • 06  (1)
  • Computational Chemistry and Molecular Modeling
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  • 1
    Digitale Medien
    Digitale Medien
    A novel technique for measuring resistance fluctuations independently of background noise (1989)
    Springer
    Applied physics 48 (1989), S. 233-236 
    Details
    ISSN: 1432-0630
    Schlagwort(e): 06 ; 07 ; 61.70
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Maschinenbau , Physik
    Notizen: Abstract A novel method is presented for measuring the spectral density of resistance fluctuations without the explicit determination of the voltage background noise (Johnson noise, pre-amplifier noise). The output of a standard ac bridge excited by a single-frequency alternating current is demodulated by two phase-sensitive detectors which operate in quadrature. When the phase difference between excitation and detection is properly set, the real part of the cross-spectral density of the two demodulators shows only the spectral density of the resistance fluctuations and not the disturbing background noise. The feasibility of our new method is demonstrated by measurements of 1/f noise of a thin-film A1 sample.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00619390
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 2
    Digitale Medien
    Digitale Medien
    Energy-adjusted pseudopotentials for the rare earth elements (1989)
    Springer
    Theoretical chemistry accounts 75 (1989), S. 173-194 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Pseudopotentials ; Rare earth elements
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Nonrelativistic and quasirelativistic energy-adjusted pseudopotentials and optimized (7s6p5d)/[5s4p3d]-GTO valence basis sets for use in molecular calculations for fixed f-subconfigurations of the rare earth elements, La through Lu, have been generated. Atomic excitation and ionization energies from numerical HF, as well as SCF pseudopotential calculations using the derived basis sets, differ by less than 0.1 eV from numerical HF all-electron results. Corresponding values obtained from CI(SD), CEPA-1, as well as density functional calculations using the quasirelativistic pseudopotentials, are in reasonable agreement with experimental data.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00528565
    Bibliothek Standort Signatur Band/Heft/Jahr Verfügbarkeit
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  • 3
    Digitale Medien
    Digitale Medien
    Pseudopotential study of the rare earth monohydrides, monoxides and monofluorides (1989)
    Springer
    Theoretical chemistry accounts 75 (1989), S. 369-387 
    Details
    ISSN: 1432-2234
    Schlagwort(e): Pseudopotentials ; Rare earth elements
    Quelle: Springer Online Journal Archives 1860-2000
    Thema: Chemie und Pharmazie
    Notizen: Abstract Nonrelativistic and quasirelativistic energy-adjusted pseudopotentials for fixed 4f subconfigurations of the rare earth elements La through Lu together with corresponding optimized valence basis sets have been used in SCF and CI(SD) calculations to determine the spectroscopic constants for the energetically low lying superconfigurations of the lanthanide monohydrides, monoxides and monofluorides. The experimentally observed trends in dissociation energies, bond lengths and vibrational frequencies for the ground states of the calculated superconfigurations of the monoxides and monofluorides are well reproduced. The results for the monohydrides are mainly predictions.
    Materialart: Digitale Medien
    URL: http://dx.doi.org/10.1007/BF00526695
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