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  • 1
    Electronic Resource
    Electronic Resource
    Bandstructure of Tc and the effect of correlation
    Amsterdam : Elsevier
    Solid State Communications 30 (1979), S. 385-389 
    Details
    ISSN: 0038-1098
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0038-1098(79)90657-4
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    Paper (German National Licenses)
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  • 2
    Electronic Resource
    Electronic Resource
    Bandstructure of actinium and the effect of correlation
    Amsterdam : Elsevier
    Solid State Communications 40 (1981), S. 555-557 
    Details
    ISSN: 0038-1098
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
    URL: http://linkinghub.elsevier.com/retrieve/pii/0038-1098(81)90572-X
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    Paper (German National Licenses)
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  • 3
    Electronic Resource
    Electronic Resource
    Bandstructure, fermi surface and superconductivity of Pr under high pressure (1984)
    Springer
    The European physical journal 55 (1984), S. 299-308 
    Details
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The electronic bandstructures of rare earth metal Praseodymium (Pr) have been calculated for a wide range of static pressures using RAPW method. The density of states and Fermi surface cross sections on the principal planes corresponding to various pressures are obtained. It is seen that, there is, 4f shell breakdown in Pr under pressure and formation of 4f bands. The calculation of the superconducting transition temperaturesT c corresponding to various pressures shows that Pr may become a high pressure superconductor like Cerium eventhough it is not observed experimentally to be a superconductor because of its magnetic character at normal pressure.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01304081
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  • 4
    Electronic Resource
    Electronic Resource
    On the pressure variation of resistivity of solid Pr, La and Ac (1985)
    Springer
    The European physical journal 58 (1985), S. 105-110 
    Details
    ISSN: 1434-6036
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract The high pressure bandstructure results are used to study the pressure variation of the electrical resistivity in Praseodymium (Pr), Lanthanum (La) and Actinium (Ac). The resistivity is calculated using Huang's formula. In the case of Pr and La in the pressure range upto 200 kbar the resistivity increases with pressure and approaches saturation value whereas for Ac, the resistivity increases with pressure initially and then it decreases with increase of pressure. The results are compared with the available experimental and theoretical results. The transitions reported by other investigators in Pr and La are visible in the curves of resistivity Vs pressure. We have also computed the pressure coefficients for Pr and La which indicate the probable phase transitions in them.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF01304261
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    Paper (German National Licenses)
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  • 5
    Electronic Resource
    Electronic Resource
    Ground-states of light impurities in metals (1987)
    Springer
    Hyperfine interactions 35 (1987), S. 697-699 
    Details
    ISSN: 1572-9540
    Source: Springer Online Journal Archives 1860-2000
    Topics: Physics
    Notes: Abstract A straight forward expression to calculate the ground-state energies of light impurties in metals is derived on the basis of the Thomas-Fermi theory of screening. It is tested for position and a good agreement is found with earlier results.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02394479
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  • 6
    Electronic Resource
    Electronic Resource
    Electronic structure of helium-trapped vacancy in aluminum using multiple scattering Xα method (1989)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 35 (1989), S. 679-685 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The self-consistent multiple scattering Xα (MSXα) method is used to arrive at the electronic structure of a helium-trapped vacancy in aluminum using a cluster model. The calculated orbital energies, electron density, and charge distributions are compared with the available theoretical results. It is shown that helium trapping causes the reshuffling and upward movement of the cluster levels (with vacancy).
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560350508
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  • 7
    Electronic Resource
    Electronic Resource
    Effect of positive background on the ground-state energy of a Wigner lattice (1993)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 47 (1993), S. 177-183 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: An attempt has been made to study the effect of a nonuniform positive background on the ground-state energy of a nonmagnetic Wigner lattice. The background is modified with a variable “ripple” parameter in the background charge, represented by a Yukawa-type charge distribution. Our calculation shows that a Yukawa-type background leads to a lower ground-state energy value compared to a Gaussian-type and constant positive background. © 1993 John Wiley & Sons, Inc.
    Additional Material: 5 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560470302
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  • 8
    Electronic Resource
    Electronic Resource
    Electron crystallization in two dimensions (1994)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 51 (1994), S. 329-333 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: The ground state of the 2D electron crystal is investigated using a localized representation for the electrons. Assuming a neutralizing background, calculation for a nonmagnetic electron crystal is performed. The areal electron densities corresponding to the crystallization for different rs values are computed and these are compared with the available experimental areal densities. An upper limit for the obtainable areal density has been predicted from our results. © 1994 John Wiley & Sons, Inc.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560510509
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  • 9
    Electronic Resource
    Electronic Resource
    Transforming Gaussians into Wannier functions using inversion of cyclic matrix (1991)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 40 (1991), S. 703-708 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: One-dimensional Gaussians are transformed into orthonormalized atomic orbitals (OAOS) using the inverse of the cyclic overlap matrix. During that process it was found that these OAOS are nothing but the Wannier functions and have properties similar to the Wannier functions obtained by Wannier himself from Gaussians using a different method. The present method gives rise to a better Wannier function with less distortion.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560400512
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  • 10
    Electronic Resource
    Electronic Resource
    Electronic structure of Al, P, S, and Cl impurities in silicon (1996)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 58 (1996), S. 383-388 
    Details
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: We report a fully self-consistent investigation of the electronic structure, relation between charge transfer and electronegativity, bonding characteristics, and alloying of Al, P, S, and Cl with silicon. The present study indicates that the charge transfer from the host Si atoms to the central impurity atom increases with electronegativity of the impurity element. The bonding between host Si atoms and the impurity atoms is ionic in nature. © 1996 John Wiley & Sons, Inc.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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