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  • Atomic, Molecular and Optical Physics  (2)
  • DOCUMENTATION AND INFORMATION SCIENCE  (1)
  • Cell & Developmental Biology
  • 1990-1994  (2)
  • 1980-1984  (1)
  • 1
    Electronic Resource
    Electronic Resource
    A generalized non-muffin-tin theory of band structureThis work was supported by the U.S. Army Research Office. (1984)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 26 (1984), S. 87-104 
    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: A generalized non-muffin-tin band structure method is presented in the context of multiple scattering off of the Wigner-Seitz cell. This technique has the following desirable features: it is formally exact and rapidly convergent; it preserves the separation between the nondiagonal scattering matrix for the cell and the usual structure constants of KKR in the secular determinant; it produces an accurate representation of the wave function throughout the sphere bounding the Wigner-Seitz cell and hence is suitable for self-consistent field calculations and applications that require a detailed knowledge of the unperturbed crystal potential and wave functions. Various aspects of the application of this theory to the empty lattice and sodium are presented, and its limitations discussed. Some future lines of research are briefly reviewed.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560260813
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    Paper (German National Licenses)
    Fulltext
  • 2
    Electronic Resource
    Electronic Resource
    Statistical microdynamics of extended systems in natural function spaces (1993)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 48 (1993), S. 363-375 
    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 approximate numerical method of solving the Generalized Master Equation for a many-body problem is presented, with examples of its application. This method involves the construction from the full Hamiltonian (of the system plus the “bath”) of a set of unitary Langevin equations that combine deterministic microcanonical, stochastic canonical (heat bath), and stochastic nonthermal dynamics in a single time-integration scheme. If implemented in a representation that captures the essential physics and repeatedly run from a given initial condition, this method evaluates stochastic representatives from the actual fiber bundle of system worldlines that flow from the initial condition and, hence, numerically evaluates the path integral. © 1993 John Wiley & Sons, Inc.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/qua.560480837
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    Paper (German National Licenses)
    Fulltext
  • 3
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    NASA's educational programs (1990)
    In:  CASI
    Details
    Publication Date: 2019-08-28
    Description: The educational programs of NASA's Educational Affairs Division are examined. The problem of declining numbers of science and engineering students is reviewed. The various NASA educational programs are described, including programs at the elementary and secondary school levels, teacher education programs, and undergraduate, graduate, and university faculty programs. The coordination of aerospace education activities and future plans for increasing NASA educational programs are considered.
    Keywords: DOCUMENTATION AND INFORMATION SCIENCE
    Type: JAI Press, Inc., Government Information Quarterly. Volume 7, No. 2: National Aeronautics and Space Administration Scientific and Technical Information Programs. Special Issue; p 185-195
    Format: application/pdf
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    NASA TECHNICAL REPORTS
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