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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 117 (2002), S. 2172-2179 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Energy fluctuations of a solute molecule embedded in a polar solvent are investigated to depict the energy landscape for solvation dynamics. The system is modeled by a charged molecule surrounded by two layers of solvent dipolar molecules with simple rotational dynamics. Individual solvent molecules are treated as simple dipoles that can point toward or away from the central charge (Ising spins). Single-spin-flip Monte Carlo kinetics simulations are carried out in a two-dimensional lattice for different central charges, radii of outer shell, and temperatures. By analyzing the density of states as a function of energy and temperatures, we have determined the existence of multiple freezing transitions. Each of them can be associated with the freezing of a different layer of the solvent. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    Amsterdam : Elsevier
    Physica C: Superconductivity and its applications 235-240 (1994), S. 3019-3020 
    ISSN: 0921-4534
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    [S.l.] : American Institute of Physics (AIP)
    Review of Scientific Instruments 70 (1999), S. 3362-3368 
    ISSN: 1089-7623
    Source: AIP Digital Archive
    Topics: Physics , Electrical Engineering, Measurement and Control Technology
    Notes: An atomic force microscope with a high-resolution three-axis laser interferometer for real-time correction of distorted topographic images has been constructed and investigated. With this apparatus, standard samples for a scanning probe microscope can be directly calibrated on the basis of stabilized wavelength of He–Ne lasers. The scanner includes a three-sided mirror block as a mobile target mirror for the interferometer, which realizes a rectangular coordinate system. The position coordinates of the sample is independently and simultaneously acquired with high-resolution (0.04 nm) X/Y/Z interferometer units and fed back for XY servo scanning and height image construction. The probe is placed on the sample surface at the intersection of the three optical axes of the interferometer with good reproducibility, so that the Abbe error caused by the rotation of the scanner is minimized. Image distortion in the XY plane and vertical overshoot/undershoot due to nonlinear motion of piezo devices, hysteresis, and creep are eliminated. The optical properties of the interferometers, mechanical characteristics of the scanner, and system performances in dimensional measurements for calibration standards are demonstrated. © 1999 American Institute of Physics.
    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 105 (1996), S. 7294-7309 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We obtain a closed expression for the response function for damped anharmonic vibrational modes using the Feynman rule obtained through the nonequilibrium generating functional derived in our previous paper [Phys. Rev. E 53, 214 (1996)]. The linear absorption spectra are explicitly calculated through the Feynman diagrams for molecules with anharmonic potential in solution. The dependence of the spectra both on the temperature and on the solvent nature can be taken into account in our theory. The result is examined numerically for various dampings, anharmonicities, and temperatures. © 1996 American Institute of Physics.
    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 107 (1997), S. 2267-2283 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have developed a theory of the fifth-order off-resonant spectroscopy to study the effect of anharmonicity of molecular vibrational modes. The anharmonicity, as well as nonlinear dependence of polarizability on nuclear coordinates, can be the origin of the fifth-order Raman signal. A profile of the signal varies depending on the relative importance of the two effects—the anharmonicity and the nonlinearity. The anharmonicity of a potential can be distinguished from the other effects such as the nonlinearity or the inhomogeneity of vibrational modes. In order to carry out calculations analytically, we employ the multimode Brownian oscillator model and treat anharmonicity as perturbation to the harmonic vibrational modes. A simple analytical expression for the fifth-order polarization is obtained through a diagrammatic technique, called Feynman rule on the unified time path. Physical pictures for the analytical expression are given for a single mode system through numerical calculations and through double-sided Feynman diagrams. Applications to CHCl3 and CS2 are made where the third-order experiments are used to extract parameters. In the CS2 case, the theoretical fifth-order signals are compared with recent experiment, which suggests some sign of anharmonicity. © 1997 American Institute of Physics.
    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 106 (1997), S. 1687-1698 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Assuming that the polarizability is a linear function of the nuclear coordinate, i.e., α(q)=α0+α1q, we obtain analytical expressions of the (2n+1)th-order signals and show that the leading order of the signals (n〉1) is proportional to gn+1, where gn+1 is the coefficient of the anharmonic potential V(q)=g3q3/3!+g4q4/4!+⋅⋅⋅. In other words, detection of the (2n+1)th-order signal implies the direct observation of the (n+1)th-order anharmonicity within the approximation. Based on this fact we discuss a possibility to detect the (n+1)th-order anharmonicity directly from the (2n+1)th-order experiment. Calculations are made by using novel Feynman rules for the nonequilibrium multitime correlation functions relevant to the higher-order off-resonant spectroscopy. The rules have been developed by the authors and are presented compactly in this paper. With the help of a conventional double-sided Feynman diagram, we draw physical pictures of higher-order off-resonant optical processes. Representative calculations for CHCl3 of the fifth-, seventh-, and ninth-order optical processes are presented and discussed. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
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  • 7
    ISSN: 0031-9163
    Source: Elsevier Journal Backfiles on ScienceDirect 1907 - 2002
    Topics: Physics
    Type of Medium: Electronic Resource
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