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  • American Society of Hematology  (57)
  • American Institute of Physics (AIP)  (44)
  • 1
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 70 (1991), S. 2079-2085 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: In the framework of a central force-constant model and a surface Green function matching technique we calculate the dynamical effects of biaxial strain in a short period Cu/Ni(111) superlattice. We show that sizeable changes in the spectral features are predicted, so that a spectroscopic characterization of these systems is stimulated. An important reason to investigate the vibrational features of such a system is that it has been studied in detail as a prototype of fcc-modulated alloys, i.e., artificially grown structures, which edisplay a huge stiffening of the bulk modulus.〈l 〉
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Journal of Applied Physics 68 (1990), S. 4319-4321 
    ISSN: 1089-7550
    Source: AIP Digital Archive
    Topics: Physics
    Notes: We point out that the Green function for an electron in an infinitely extended electric field is not unique. We describe the mathematical basis underlying this observation and discuss the choice of Green function appropriate for various situations including "matching'' calculations.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 5323-5334 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A theoretical expression giving the far-infrared spectrum of a dilute solution of diatomic polar molecules in a nonpolar liquid solvent is derived in order to analyze the influence on this spectrum from the J=1 and J=2 components of the Legendre polynomial expansion of the anisotropic solute–solvent potential. A non-Markovian spectral theory incorporating finite correlation of the interaction, mixing effects between rotational lines and quantum intermolecular potential correlation functions is used. This theory allows one to analyze the influence of each anisotropic part of the interaction in terms of a very reduced set of parameters: the strength and the width of its time correlation function. The zero and finite frequency components of the J=2 contribution are also studied. In particular, we show that the use of quantum potential correlation functions gives a zero frequency component not only in the width, but also in the shift of the different rotational lines. Numerical results for DCl, HCl, and HF in SF6 liquid at 273 K are obtained.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 4633-4638 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The statistical mechanics of contact angle phenomena and wetting/drying transitions at wall–fluid interfaces has benefitted from a series of recent computer simulation studies and density functional treatments. Various groups have contributed to this effort and not all of the results published to date appear to be in agreement. In particular, seemingly conflicting reports of the nature of the drying transition at model wall–liquid interfaces has generated significant confusion. Our purpose here is to clarify the situation by (i) demonstrating full consistency between two weighted density functional studies of wall–fluid interfaces, previously thought to be in conflict, and by (ii) reporting on a new density functional analysis of an earlier controversy surrounding the measurement of contact angles by computer simulation procedures involving "live'' walls.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 7916-7924 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have studied the wetting and drying transitions in a solid–fluid interace with truncated Lennard-Jones interactions, for which there have been reported molecular dynamics results by Sikkenk et al. [Phys. Rev. Lett. 59, 98 (1987)]. We consider in detail the differences resulting from the use of a "real'' solid substrate instead of the "inert wall'' model which has been used in all previous calculations.
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 93 (1990), S. 8939-8944 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The memory kernel appearing in a non-Markovian population equation for a multilevel quantum system stochastically coupled to a colored Gaussian bath is calculated on the basis of a fully quantum-mechanical treatment to construct the time autocorrelation function (TAF) associated to the system–bath interaction Hamiltonian. The limiting cases of high and low temperatures and white noise bath are also analyzed. These examples allow us to discuss in a very simple way the dependence of the memory kernel on the Bohr frequencies of the system, the intensity of the system–bath interaction, its correlation time, and the bath temperature. In particular, it is shown that a true Markovian population equation is only achieved at high temperatures with a bath correlation time much shorter than the relaxation process characteristic time.
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  • 7
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3435-3442 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A theoretical model for the infrared (0–1) band of dilute solutions of diatomic polar molecules in nonpolar rare-gas liquids is presented. The model is based on decomposition of the rotational motion of the diatomic molecule into two limiting cases, according to the Bratos model: quasifree rotation and rotational diffusion. Contribution to the infrared absorption coefficient due to quasifree rotation is analyzed within a non-Markovian formalism using a stochastic directing intermolecular field (DIF) model to describe the diatomic molecule–solvent interaction. The P and R branches appear as a consequence of the quasifree contribution, which is also important in the Q-branch region. The contribution due to rotational diffusion is calculated making use of the Debye model and is mainly significant in the Q-branch region.
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  • 8
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3443-3449 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In paper I (the preceding paper), a spectral theory describing the near infrared fundamental band spectra of diatomic polar molecules impurities in nonpolar solvents has been developed in terms of a reduced set of parameters. In this paper, this spectral theory is applied to HCl in Ar, Kr, and Xe liquid solutions. The parameters obtained by fitting the experimental and calculated profiles are in good agreement with those calculated using several microscopic theories.
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  • 9
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    Journal of Mathematical Physics 30 (1989), S. 2023-2027 
    ISSN: 1089-7658
    Source: AIP Digital Archive
    Topics: Mathematics , Physics
    Notes: A very simple model of a classical particle in a heat bath under the influence of external noise is studied. By means of a suitable hypothesis, the heat bath is reduced to an internal colored noise (Ornstein–Uhlenbeck noise). In a second step, an external noise is coupled to the bath. The steady state probability distributions are obtained.
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  • 10
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 99 (1993), S. 2281-2281 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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