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  • 1
    Electronic Resource
    Electronic Resource
    Isothermal–isobaric molecular dynamics simulation of liquid water (1990)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 2032-2042 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Results of the first isothermal–isobaric molecular dynamics simulation of water are reported. Water molecules are assumed to be flexible and to interact via a sum of pairwise interatomic potentials. Extensive runs for 256 molecules at 298 and 373 K and 1 bar give satisfactory agreement with observed properties of liquid water as diverse as density, internal energy, heat capacity, compressibility, pair correlation functions, diffusion coefficient, vibrational spectrum, relative permittivity, and dielectric relaxation spectra. The nonlinear dependence of the relative permittivity on the electric field is also computed by means of fluctuation–dissipation relations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459080
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  • 2
    Electronic Resource
    Electronic Resource
    The spectral distribution of the intrinsic radiative recombination in silicon (1993)
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 74 (1993), S. 267-274 
    Details
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: Microscopic calculations of the intrinsic radiative recombination probability B(ω,T) of Si have been performed to obtain the absolute values of the spectral distribution and of its temperature dependence. In these calculations we use the concepts of k⋅p theory, consider excitonic effects, and take into account the electron-phonon interaction. The calculated spectra are compared with measured absolute values of the intrinsic radiative recombination spectra obtained from forward biased Si p-i-n diodes and also with spectra obtained from the detailed balance theory of van Roosbroeck and Shockley [W. van Roosbroeck and W. Shockley, Phys. Rev. 94, 1558 (1954)]. Quantitative agreement is obtained for higher temperatures (about 300 K) and deviations for lower temperatures are critically discussed.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.354102
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