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  • Articles  (73)
  • American Institute of Physics (AIP)  (29)
  • Copernicus  (24)
  • BioMed Central  (20)
  • 2005-2009  (42)
  • 1985-1989  (31)
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  • Articles  (73)
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  • 1
    Electronic Resource
    Electronic Resource
    Determinant based configuration interaction algorithms for complete and restricted configuration interaction spaces (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 2185-2192 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A restricted active space (RAS) wave function is introduced, which encompasses many commonly used restricted CI expansions. A highly vectorized algorithm is developed for full CI and other RAS calculations. The algorithm is based on Slater determinants expressed as products of alphastrings and betastrings and lends itself to a matrix indexing C(Iα, Iβ ) of the CI vector. The major features are: (1) The intermediate summation over determinants is replaced by two intermediate summations over strings, the number of which is only the square root of the number of determinants. (2) Intermediate summations over strings outside the RAS CI space is avoided and RAS calculations are therefore almost as efficient as full CI calculations with the same number of determinants. (3) An additional simplification is devised for MS =0 states, halving the number of operations. For a case with all single and double replacements out from 415 206 Slater determinants yielding 1 136 838 Slater determinants each CI iteration takes 161 s on an IBM 3090/150(VF).
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.455063
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  • 2
    Electronic Resource
    Electronic Resource
    Triplet excitation properties in large scale multiconfiguration linear response calculations (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 381-388 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: It is shown that large scale MCSCF linear response (MCLR) calculations can be carried out efficiently when the perturbation operator has triplet symmetry. Methods have been developed to efficiently construct two electron density matrices containing triplet orbital excitation operators and two electron density matrices which connect singlet and triplet states. Direct CI methods have also been developed for two electron operators with spin rank one. Numerical calculations are presented for CH+ and the results compared with full CI results.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457471
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  • 3
    Electronic Resource
    Electronic Resource
    Erratum: Second-order Møller–Plesset perturbation theory as a configuration and orbital generator in multiconfiguration self-consistent-field calculations [J. Chem. Phys. 88, 3834 (1988)] (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 5354-5354 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.455749
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  • 4
    Electronic Resource
    Electronic Resource
    Linear response calculations for large scale multiconfiguration self-consistent field wave functions (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 3654-3661 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: It is shown that large scale MCSCF linear response (MCLR) calculations can be carried out efficiently using an iterative algorithm where the linear transformations are carried out directly, i.e., without explicitly constructing the MCLR matrices. Calculations are presented on H2O of frequency dependent polarizabilities with configuration spaces containing up to 128 283 determinants.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.454885
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  • 5
    Electronic Resource
    Electronic Resource
    Comparison between one-dimensional and two-dimensional models for Josephson junctions of overlap type (1985)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 57 (1985), S. 861-866 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: A two-dimensional model of Josephson junction of overlap type is presented. The energy input is provided through induced magnetic fields modeled by a set of boundary conditions. In the limit of a very narrow junction, this model reduces to the one-dimensional model. Further, an equation derived for the critical current leads in this limit to the critical current obtained from the one-dimensional model. Comparisons between stationary fluxon velocities obtained from the two models by means of numerical computations show that the difference is negligible. This supports the experimental observation that measurements are insensitive to the width of the junction.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.335478
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  • 6
    Electronic Resource
    Electronic Resource
    Ohmic lines for one-dimensional in-line and two-dimensional cylindrical Josephson junctions (1985)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 57 (1985), S. 5024-5027 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Expressions for the ohmic lines in the IV characteristic for one-dimensional in-line geometry Josephson junctions as well as for two-dimensional cylindrical Josephson junctions are presented. The expressions are compared to numerical simulations of Josephson junctions using the fluxon model; the ohmic line in this model corresponds to a continuous generation at the boundaries of fluxons and antifluxons, being pairwise annihilated in the middle (due to damping). For large currents the results fit to the expressions. Further we find that the fluxon generation in most cases were simply periodic; however, depending on the initial conditions we find 1/2 and 1/3 harmonic generation.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.335278
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  • 7
    Electronic Resource
    Electronic Resource
    Pyroelectric conversion cycle of vinylidene fluoride-trifluoroethylene copolymer (1985)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 57 (1985), S. 5036-5042 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Copolymers of vinylidene fluoride–trifluoroethylene P(VDF-TrFE) exhibit large piezoelectric and pyroelectric effects. In addition to the most common application of the pyroelectric effect (radiant detection) it is possible to convert heat directly into electrical energy by pyroelectric conversion. This study reports the first pyroelectric conversion cycle to be measured for the copolymer P(VDF-TrFE). It is found that standard isothermal D-E hysteresis loop measurements are not necessarily accurate predictors of pyroelectric conversion performance for this material. Conduction effects are found to obscure the observation of conversion cycles in most cases for the presently available materials. In spite of these difficulties, a conversion cycle was measured whose output electric energy density was 30 mJ/cm3. The output density is 15 times larger than any other polymer previously measured .
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.335280
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  • 8
    Electronic Resource
    Electronic Resource
    Infrared spectroscopy of thin silicon dioxide on silicon (1988)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 53 (1988), S. 1934-1936 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: An infrared technique has been devised to study the structure of very thin films on substrates of high refractive index. Optical spectrum amplification of three orders of magnitude is theoretically available. A series of refractive index enhanced multiple internal reflection spectra reveals a clear thickness-dependent structural transformation in thermal SiO2. The spectra suggest a shift in ring statistics, from smaller to larger, with increasing distance from the oxide-silicon interface.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.100487
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  • 9
    Electronic Resource
    Electronic Resource
    Simple, very low dark current, planar long-wavelength avalanche photodiode (1988)
    Woodbury, NY : American Institute of Physics (AIP)
    Applied Physics Letters 53 (1988), S. 1311-1313 
    Details
    ISSN: 1077-3118
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We have demonstrated a novel planar, avalanche photodiode (APD) for use in long-wavelength (0.95–1.65 μm) optical communication systems. The device is a separate absorption and multiplication region APD utilizing p+ guard rings which are concentric with, but not attached to the central diffused p+-n junction region. Since no contact is made to the rings, their potential is allowed to "float'' at a value somewhat less than that established by the externally applied voltage. The APD, which is fabricated in a manner identical to simple p-i-n photodiodes, eliminates edge breakdown effects while greatly reducing the electric field at the insulator/semiconductor interface. A 60-μm-diam junction device grown by vapor phase epitaxy is observed to have a primary dark current of 〈300 pA, and a capacitance of 290 fF at 90% of the breakdown voltage. Uniform gains as high as 11 have been observed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.100006
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  • 10
    Electronic Resource
    Electronic Resource
    The influence of oxygen and other impurities on the crystallization of NiZr2 and related metallic glasses (1987)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 61 (1987), S. 149-155 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: The role of oxygen and other impurities on the crystallization characteristics of Ni-Zr glasses near the composition NiZr2, as well as for FeZr2, CoZr2, and NiHf2, has been investigated. For NiZr2 glasses with 1 at. % oxygen, the first crystallization product is the metastable E93 structure with a =1.227 nm instead of the equilibrium C16 structure. A similar effect is found for samples containing (approximately-greater-than)3 at. % B. For FeZr2, CoZr2, and NiHf2 the first crystallization product is also E93 structure, even with very small levels of oxygen (≤0.2 at. %). The formation of the E93 structure is always accompanied by an increase in the electrical resistivity, an increase which transmission electron microscopy shows is intrinsic to the phase and unrelated to crystallite size. For Ni36.5Zr63.5 and Ni42Zr58 the crystallization is also accompanied by an increase in electrical resistance and the evolution of a crystal structure similar to the E93 structure in the size of the unit cell and packing fraction but with a different space group. We propose that the formation of these structures is triggered by atomic size nuclei of ZrO2, (or ZrB2) quenched in from the melt.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.338847
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