@article {530,
title = {Self-consistent kinetic theory of a plasma sheath},
journal = {Physical Review E},
volume = {65},
number = {4},
year = {2002},
note = {ISI Document Delivery No.: 544FBTimes Cited: 8Cited Reference Count: 35Part 2B},
month = {Apr},
pages = {9},
type = {Article},
abstract = {A fully kinetic theory model of the sheath of a dc glow discharge is presented. This model includes a direct numerical solution of Boltzmann equations for the spatial and velocity dependence of the electron and Ar+ distribution functions with a self-consistent electric field calculated from the Poisson equation. The solution is obtained using a collocation method that employs Legendre quadrature points for both angular and spatial variables, and nonclassical speed quadrature points for velocity. The results of the steady state direct numerical solution are compared with a particle-in-cell Monte Carlo simulation. As anticipated, it is found that the space- and energy-dependent ion distribution function varies strongly with a decrease in the ratio of the Debye length to the ion mean free path.},
keywords = {COEFFICIENTS, COLLISIONLESS PLASMA, IONS, MODEL, MONTE-CARLO SIMULATION, MOTION, NEUTRALS, PRESHEATH, TRANSITION},
isbn = {1063-651X},
url = {://000175146600014},
author = {Vasenkov, A. V. and Shizgal, B. D.}
}
@article {4471,
title = {Rotational spectra and hyperfine constants of ZrO and ZrS},
journal = {Journal of Chemical Physics},
volume = {110},
number = {22},
year = {1999},
note = {ISI Document Delivery No.: 199FFTimes Cited: 32Cited Reference Count: 49},
month = {Jun},
pages = {10715-10724},
type = {Article},
abstract = {The pure rotational spectra of ZrO and ZrS have been recorded using cavity Fourier transform microwave spectroscopy in the frequency range 9-26 GHz. The molecules were generated by laser ablation of a solid Zr rod in the presence of 0.05\% of O-2 or H2S, respectively, in either argon or neon. Rotational spectra of five previously unobserved isotopomers of ZrO in the X(1)Sigma(+) state have been measured. Spectra for all five (ZrS)-S-32 isotopomers and for the (ZrS)-Zr-90-S-34 isotopomer in natural abundance have also been measured; this is the first report of pure rotational transitions for ZrS. Transitions in several excited vibrational states were also measured for the most abundant isotopomers of both species. Atomic mass-dependent Born-Oppenheimer breakdown correction terms were determined by fitting the data obtained for each molecule to a Dunham-like expression. Values for the equilibrium bond lengths of the two species were also calculated from the results of these fits. For both the (ZrS)-Zr-91-S-32 and (ZrO)-Zr-91-O-16 isotopomers, nuclear hyperfine structure due to the zirconium nucleus was observed and values for eQ(q0) (Zr-91) and C-I (Zr-91) have been determined. A rotational transition in the low lying a (3)Delta state of ZrS has also been observed. (C) 1999 American Institute of Physics. [S0021-9606(99)00121-X].},
keywords = {BORN-OPPENHEIMER APPROXIMATION, COEFFICIENTS, DEPENDENCE, DIATOMIC-MOLECULES, DIPOLE-MOMENTS, DUNHAM, FOURIER-TRANSFORM SPECTROSCOPY, ISOTOPE, LOW-TEMPERATURE, METAL-OXIDES, REFRACTORY MOLECULES, ZIRCONIUM OXIDE},
isbn = {0021-9606},
url = {://000080469200010},
author = {Beaton, S. A. and Gerry, M. C. L.}
}
@article {4364,
title = {Improved initial density dependence of the viscosity and a corresponding states function for high pressures},
journal = {Physica a-Statistical Mechanics and Its Applications},
volume = {260},
number = {1-2},
year = {1998},
note = {ISI Document Delivery No.: 135WLTimes Cited: 24Cited Reference Count: 50},
month = {Nov},
pages = {31-48},
type = {Article},
abstract = {The initial density correction to gaseous viscosity using accurate realistic potentials of the noble gases is evaluated using the Rainwater-Friend theory. It is shown that this theory works satisfactorily for densities up to about 2 mol dm(-3). Due to the superimposability of the noble gas potential functions, a universal function of the reduced second viscosity virial coefficient is obtained over the entire reduced temperature range. At densities beyond the range of the theory, a variant of the excess viscosity is developed, by which the viscosity of the different gases can be easily calculated above the critical temperature for pressures up to 900 MPa. The accuracy of this method is within the experimental uncertainties. (C) 1998 Elsevier Science B.V. All rights reserved.},
keywords = {11 POLYATOMIC GASES, ARGON, COEFFICIENT, COEFFICIENTS, EQUILIBRIUM, high-pressure excess viscosity, NOBLE-GASES, ORGANIC VAPORS, PHYSICAL-PROPERTIES, Rainwater-Friend theory, second viscosity virial, TEMPERATURE, THERMAL-CONDUCTIVITY, TRANSPORT-PROPERTIES, VISCOSITY},
isbn = {0378-4371},
url = {://000076825600004},
author = {Najafi, B. and Ghayeb, Y. and Rainwater, J. C. and Alavi, S. and Snider, R. F.}
}
@article {4295,
title = {Microwave spectra of the Ne-N-2 van der Waals complex: Experiment and theory},
journal = {Journal of Chemical Physics},
volume = {109},
number = {13},
year = {1998},
note = {ISI Document Delivery No.: 123YFTimes Cited: 15Cited Reference Count: 29},
month = {Oct},
pages = {5420-5432},
type = {Article},
abstract = {High-resolution microwave spectra of the ground state Ne-20-N-14(2), Ne-20-N-15(2), Ne-22-N-14(2), and Ne-22-N-15(2) Van der Waals complexes, involving rotational levels up to J=4, are reported. Interpretation and assignment of the observed transitions were made by combining results of measurements and theoretical predictions of the MW line positions in terms of available empirical potential energy surfaces and of a new high-level ab initio potential energy surface. The deviations of the calculated MW spectra from those observed experimentally are more uniform for the ab initio potential surface than they are for the empirical potential surfaces, allowing for reduction of the deviations to within 0.07\% for all isotopomers by a single-parameter scaling of the nb initio potential energy surface. The scaled Ne-N-2 interaction potential was used to predict the MW line positions for the transitions J{\textquoteright}-J "=3-2, 4-3 for all species. A simple procedure is proposed to improve the ab initio results for atom-diatom systems on the basis of atom-atom interaction components. (C) 1998 American Institute of Physics. [S0021-9606(98)01437-8].},
keywords = {AXES, BASIS-SETS, COEFFICIENTS, CONSTANTS, MOLECULES, N2-AR, POTENTIAL-ENERGY SURFACE, SPECTROMETER, WAVE-FUNCTIONS},
isbn = {0021-9606},
url = {://000076152700030},
author = {Jager, W. and Xu, Y. and Armstrong, G. and Gerry, M. C. L. and Naumkin, F. Y. and Wang, F. and McCourt, F. R. W.}
}
@article {4408,
title = {Relaxation and transport of molecular systems in the gas phase},
journal = {International Reviews in Physical Chemistry},
volume = {17},
number = {2},
year = {1998},
note = {ISI Document Delivery No.: ZQ123Times Cited: 10Cited Reference Count: 108},
month = {Apr-Jun},
pages = {185-225},
type = {Review},
abstract = {Some of the properties of gas phase relaxation and transport are reviewed with an emphasis on those properties that are due entirely to the presence of internal states in real molecular systems. The theoretical formulations of such non-equilibrium effects is based on the quantum Boltzmann equation. The conditions for the validity and the properties of this equation are reviewed. This includes a general discussion of how the combination of free molecule motion and collisions is required for the approach to global equilibrium. It is shown how the free motion is equivalent to a phase randomization of the elements of the density operator that are off-diagonal in energy. Spin relaxation and the magnetic field dependence (Senftleben-Beenakker effects) of the viscosity for a gas of diatomics are used to illustrate these aspects of the approach to equilibrium.},
keywords = {BINARY COLLISION APPROXIMATION, BOLTZMANN-EQUATION, CARTESIAN TENSORS, COEFFICIENTS, CROSS-SECTIONS, ENERGY, IRREDUCIBLE, MODERATELY DENSE GAS, MUON SPIN RELAXATION, QUANTUM KINETIC-THEORY},
isbn = {0144-235X},
url = {://000073824600003},
author = {Snider, R. F.}
}
@article {4130,
title = {The quadrature discretization method (QDM) in the calculation of the rotational-vibrational transitions in rare gas dimers},
journal = {Theochem-Journal of Molecular Structure},
volume = {391},
number = {1-2},
year = {1997},
note = {ISI Document Delivery No.: WU757Times Cited: 3Cited Reference Count: 38},
month = {Feb},
pages = {131-139},
type = {Article},
abstract = {A discretization method referred to as the Quadrature Discretization Method (QDM) is employed for the determination of the rotational-vibrational states of the inert gas dimers. The QDM is based on the discretization of the wave function on a grid of points that coincide with the points of a quadrature. The quadrature is based on a set of non-classical polynomials orthogonal with respect to a weight function determined by the potential function in the Schroedinger equation. In this paper, the weight functions used in the solution of the Schroedinger equation are related to the ground state wavefunctions of the Morse potential that approximates the potential of interest. Calculations are carried out for vibrational energy levels for HF modelled with a Morse potential. Excellent agreement is obtained with the known spectrum of the Morse potential. The rate of convergence of the eigenvalues and the eigenfunctions of the Schroedinger equation is very rapid with this approach. The vibrational and rotational transitions for the rare gas dimers are calculated and compared with the results reported recently by Ogilvie and Wang (J. Mol. Struc., 291 (1993) 313). (C) 1997 Elsevier Science B.V.},
keywords = {AR-XE, COEFFICIENTS, DISCRETE-VARIABLE REPRESENTATION, NE-KR, ORDINATE METHOD, POTENTIALS, quadrature discretion method, QUANTUM-MECHANICS, rare gas dimer, rotation-vibration, SCHRODINGER-EQUATION, Schroedinger equation, SPECTRA, STATES, TRANSITION},
isbn = {0166-1280},
url = {://A1997WU75700014},
author = {Shizgal, B. D.}
}
@article {3811,
title = {The quadrature discretization method (QDM) in the solution of the Schrodinger equation with nonclassical basis functions},
journal = {Journal of Chemical Physics},
volume = {104},
number = {11},
year = {1996},
note = {ISI Document Delivery No.: TY728Times Cited: 34Cited Reference Count: 66},
month = {Mar},
pages = {4137-4150},
type = {Article},
abstract = {A discretization method referred to as the Quadrature Discretization Method (QDM) is introduced for the solution of the Schrodinger equation. The method has been used previously for the solution of Fokker-Planck equations. The Fokker-Planck equation can be transformed to a Schrodinger equation with a potential of the form that occurs in supersymmetric quantum mechanics, For this class of potentials, the groundstate wave function is known. The QDM is based on the discretization of the wave function on a grid of points that coincide with the points of a quadrature. The quadrature is based on a set of nonclassical polynomials orthogonal with respect to a weight function determined by the potential function in the Schrodinger equation. For the Fokker-Planck operator, the weight function that provides rapid convergence of the eigenvalues are the steady distributions at infinite time, that is, the ground state wave functions. In the present paper, the weight functions used in an analogous solution of the Schrodinger equation are related to the ground state wave functions if known, or some approximate form. Calculations are carried out for a model systems, the Morse potential, and for the vibrational levels of O-2 and Ar-Xe with realistic pair potentials. For O-2, the wave functions are used to calculate the vibrationally inelastic transition amplitudes for a Morse potential and compared with exact analytic results. The eigenvalues of a two-dimensional Schrodinger equation with the Henon-Heiles potential are also calculated. The rate of convergence of the eigenvalues and the eigenfunctions of the Schrodinger equation is very rapid with this approach. (C) 1996 American Institute of Physics.},
keywords = {BOUND-STATES, COEFFICIENTS, DISCRETE-ORDINATE METHOD, EIGENVALUE PROBLEMS, FOKKER-PLANCK EQUATION, ORTHOGONAL POLYNOMIALS, POTENTIALS, QUANTUM-MECHANICS, RECURRENCE, ROVIBRATIONAL STATES},
isbn = {0021-9606},
url = {://A1996TY72800030},
author = {Shizgal, B. D. and Chen, H.}
}
@article {3078,
title = {MIXING SCHEMES AND LIQUID-SOLID PHASE-DIAGRAM IN THE WATER-RICH REGION OF AQUEOUS 2-BUTOXYETHANOL},
journal = {Bulletin of the Chemical Society of Japan},
volume = {67},
number = {9},
year = {1994},
note = {ISI Document Delivery No.: PM797Times Cited: 11Cited Reference Count: 28},
month = {Sep},
pages = {2393-2397},
type = {Article},
abstract = {Liquid-solid phase diagram was determined in the water-rich region of aqueous 2-butoxyethanol. A solid addition compound was suggested with the composition x(BE)add = 0.0260, which melts incongruently at 269.5 K. The mixing scheme boundary separating two regions in the single liquid phase domain (Chem. Phys. Lett., 217, 245 (1994) was found to cross the incongruent melting point of the above solid addition compound.},
keywords = {BEHAVIOR, COEFFICIENTS, LIGHT-SCATTERING, MIXTURES, PARTIAL MOLAR ENTHALPIES, TEMPERATURES, TRANSITION, VOLUMES},
isbn = {0009-2673},
url = {://A1994PM79700008},
author = {Koga,Yoshikata and Tanaka, T. and Atake, T. and Westh, P. and Hvidt, A.}
}
@article {2780,
title = {A UNIFORM WENTZEL-KRAMERS-BRILLOUIN APPROACH TO ELECTRON-TRANSPORT IN MOLECULAR GASES},
journal = {Journal of Chemical Physics},
volume = {99},
number = {10},
year = {1993},
note = {ISI Document Delivery No.: MH744Times Cited: 4Cited Reference Count: 46},
month = {Nov},
pages = {7638-7651},
type = {Article},
abstract = {The relaxation of a nonequilibrium distribution of electrons in molecular gases, and the transient and steady electron transport properties are studied with the Boltzmann equation, which accurately accounts for elastic and inelastic electron-moderator collisions. The elastic collision operator is a self-adjoint Fokker-Planck operator, whereas the-inelastic collision term is a difference operator. We consider a discretization of the inelastic collision operator which is motivated by the discrete energy losses that occur. For small energy losses, a continuous approximation is introduced such that the inelastic collision term is approximated by a Fokker-Planck operator similar to the elastic collision operator. The transient electron transport properties are studied for an initial electron distribution function in terms of the eigenvalue spectrum of both the elastic and inelastic collision operators. The Fokker-Planck eigenvalue problem is transformed into a Schrodinger equation and the nature of the spectrum is studied in terms of the Wentzel-Kramers-Brillouin and supersymmetric Wentzel-Kramers-Brillouin approximations. The methodology is applied to model systems and the transport of electrons in methane.},
keywords = {BOLTZMANN-EQUATION ANALYSIS, COEFFICIENTS, DIFFUSION, FIELD DEPENDENCE, MODERATORS, NEUTRAL GASES, PARAMETERS, SWARM, THERMALIZATION, VELOCITY DISTRIBUTION FUNCTION, WKB},
isbn = {0021-9606},
url = {://A1993MH74400037},
author = {Demeio, L. and Shizgal, B.}
}