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  • 1
    Electronic Resource
    Electronic Resource
    Quantum chaos of Ar3: Statistics of eigenvalues (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 3470-3476 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The successive diagonalization–truncation method is applied to the calculation of the vibrational eigenvalues of the Ar trimer bound by pairwise Lennard-Jones potentials. The statistics of the eigenvalues reveal strongly chaotic behavior of the cluster, consistent with the classical dynamics studies. Moreover, the zero-point energy is higher than the highest energy at which regular dynamics were found classically, indicating that for all energies physically accessible to the cluster, the dynamics are chaotic.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456876
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  • 2
    Electronic Resource
    Electronic Resource
    Efficient pointwise representations for vibrational wave functions: Eigenfunctions of H+3 (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 1774-1786 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The successive truncation–diagonalization method described in previous work [Z. Bacic, R. M. Whitnell, D. Brown and J. C. Light, Comp. Phys. Comm. (to be published)] is generalized to a three-dimensional discrete variable representation (DVR). The use of the 3D DVR leads to a sparse Hamiltonian matrix that makes the transformations used in the successive truncation-diagonalization technique very efficient. The method is applied to J=0 H+3 using a hyperspherical coordinate system. Full symmetry adaptation of the DVR is used allowing a complete resolution of the vibrational eigenfunctions into the D3h irreducible representations. Converged eigenvalues up to ∼20 000 cm−1 are reported for all representations. This method is thereby shown to be both efficient and accurate for calculating triatomic vibrational states with large amplitude motion.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.456071
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  • 3
    Electronic Resource
    Electronic Resource
    [3+2] resonance enhanced multiphoton ionization of I and Br formed from the infrared multiphoton decomposition of CF3I and CF3Br (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 2925-2931 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Resonance enhanced multiphoton ionization (REMPI) has been used to study the products of the infrared multiphoton decomposition (IRMPD) of CF3I in a very low-pressure photolysis (VLPΦ) cell. The strongest REMPI signals are due to the ground state I(2P3/2) and the spin–orbit excited state I*(2P1/2). The origins of I and I* were determined from the time and IR laser fluence dependences of the REMPI signal. I* is formed by visible single photon dissociation of vibrationally excited CF3I and by visible multiphoton dissociation of I2 and thermal CF3I. The ionization efficiency of I has been determined relative to NH3 for our probe laser conditions, and the sticking coefficient of I with gold surfaces has been determined. The REMPI spectra of the products of the IRMPD of CF3Br is also presented.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.454997
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  • 4
    Electronic Resource
    Electronic Resource
    Frictional effects on barrier crossing in solution: Comparison with the Kramers' equation (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 762-769 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In our efforts to examine the validity of the Kramers' equation, the rate constants of the excited state isomerization of 1,1'-binaphthyl in n-alkane solvents were measured at room temperature using picosecond spectroscopy. These data, and data measured previously in n-alcohols, were compared with Kramers' model using two forms for the friction. When a hydrodynamic model for the friction was used, good agreement was found for the alcohol data only. When the isomerization friction is assumed to scale linearly with the friction for overall reorientational motion, we find excellent agreement for both the alcohol and alkane solvents. In addition, the friction in alkanes is found to be considerably larger than that of alcohols of comparable viscosity. This provides a direct indication that the molecular aspects of the solute–solvent interaction play a role in the barrier crossing process.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.455199
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  • 5
    Electronic Resource
    Electronic Resource
    Thickness of fluid interfaces near the critical point from optical reflectivity measurements (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 3056-3061 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The optical reflectivity of fluid interfaces near the critical point is analyzed in the light of recently improved estimates of the surface tension and measurements of the bulk correlation length. In contrast to earlier analyses, it becomes possible to discriminate between the two leading phenomenological theories of fluid interfaces, the intrinsic structure theory originated by Maxwell and van der Waals and the capillary wave theory as developed by Buff, Lovett, and Stillinger. For one of the two systems studied, cyclohexane–methanol, capillary wave theory is found to fit the reflectivity data well, while intrinsic structure theory is in strong disagreement with the reflectivity data. A simple combination of the two theories does not significantly improve the performance of capillary wave theory. For the second system studied, sulfur hexafluoride, neither capillary wave theory nor intrinsic structure theory fits the reflectivity data well, while their combination gives partial agreement with experiment.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453042
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  • 6
    Electronic Resource
    Electronic Resource
    Equilibrium structure of liquid wetting layers (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 86 (1987), S. 1521-1532 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A phenomenological theory of the liquid wetting layer is presented. Its predictions are compared to those of earlier simpler models as well as to recent experimental results. Special attention is given to the critical region and to the crossover from the complete wetting regime to the critical wetting regime.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.452189
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  • 7
    Electronic Resource
    Electronic Resource
    Erratum: Atom- and radical-surface sticking coefficients measured using resonance-enhanced multiphoton ionization (REMPI) [J. Chem. Phys. 91, 5037 (1989)] (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 7310-7310 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457681
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  • 8
    Electronic Resource
    Electronic Resource
    Random sequential adsorption of unoriented rectangles onto a plane (1989)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 91 (1989), S. 2599-2602 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Random sequential adsorption of nonoverlapping rectangles of arbitrary orientation onto a continuous plane was investigated by computer simulation. The approach to the jamming limit was found to obey Feder's law for a wide range of rectangle aspect ratios. The coverage fraction at the jamming limit was found to depend upon the aspect ratio of the adsorbed rectangles, with a maximum in the jamming coverage occurring at aspect ratios ≈2.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.457021
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  • 9
    Electronic Resource
    Electronic Resource
    Nonuniversal field dependence of the critical behavior of the interface between fluid phases in two dimensions (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 3747-3750 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The equilibrium structure of the interface between two-dimensional fluid phases in the presence of an external field is investigated. Unlike in three or more dimensions of space, it is found that in two dimensions the interfacial thickness is very sensitive to the external field. In particular, the critical exponent that describes the divergence of the interfacial thickness as the critical point is approached is found to be strongly nonuniversal, i.e., field dependent, in two dimensions, whereas it is universal, i.e., field independent, in three or more dimensions.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.454896
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  • 10
    Electronic Resource
    Electronic Resource
    Femtosecond study of geminate electron–hole recombination in neat alkanes (1988)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 89 (1988), S. 606-608 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The first measurement of the geminate electron–hole recombination times of two neat octane isomers has been studied using femtosecond techniques. The recombination times were found to be 2.2±1.0 ps in n-octane and 470±40 fs in iso-octane, thus showing that the rates are strongly dependent on the structure of the alkane solvents.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.455453
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