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  • American Institute of Physics (AIP)  (34)
  • Institute of Physics (IOP)  (10)
  • EMBO Press
  • Blackwell Publishing Ltd
  • MDPI Publishing
  • 1
    Electronic Resource
    Electronic Resource
    Turbulization of nonlinear Langmuir oscillations in a cold plasma (1997)
    [S.l.] : American Institute of Physics (AIP)
    Physics of Plasmas 4 (1997), S. 3200-3203 
    Details
    ISSN: 1089-7674
    Source: AIP Digital Archive
    Topics: Physics
    Notes: It is shown that the electric field of Langmuir oscillations in a cold plasma contains a component, independent of time, setting ions in motion. Using Lagrange variables, one-dimensional dynamics of plasma in respect to the interaction between electron oscillations and ion movement is investigated. As a consequence of this interaction, the crossing of electron trajectories occurs even at small amplitudes at time tc, i.e., one-dimensional turbulence appears in the system. The expression for tc is derived. In time tc ion displacements as well as ion energy are found to depend only on the electron–ion mass relationship. © 1997 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.872460
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  • 2
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    Effect of structural phase transitions on the exciton absorption spectrum of thin CsPbCl3 films (2014)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2014-10-10
    Description: The absorption spectrum of thin film CsPbCl 3 in the 2–6 eV range is studied at temperatures of 90–500 K. Sudden changes show up in the temperature dependences of the parameters of the long-wavelength exciton band (spectral position E m ( T ), half width Γ( T ), and oscillator strength f ( T )) at the first order phase transitions at 310 and 320. No phase transitions in E m ( T ), Γ( T ), and f ( T ) are detected at low temperatures. The exciton excitations in CsPbCl 3 are found to have a three-dimensional character.
    Print ISSN: 1063-777X
    Electronic ISSN: 1090-6517
    Topics: Physics
    Published by American Institute of Physics (AIP)
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  • 3
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    Effect of structural phase transitions on the exciton absorption spectrum of thin CsPbCl3 films (2014)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2014-08-30
    Description: The absorption spectrum of thin film CsPbCl 3 in the 2–6 eV range is studied at temperatures of 90–500 K. Sudden changes show up in the temperature dependences of the parameters of the long-wavelength exciton band (spectral position E m ( T ), half width Γ( T ), and oscillator strength f ( T )) at the first order phase transitions at 310 and 320. No phase transitions in E m ( T ), Γ( T ), and f ( T ) are detected at low temperatures. The exciton excitations in CsPbCl 3 are found to have a three-dimensional character.
    Print ISSN: 1063-777X
    Electronic ISSN: 1090-6517
    Topics: Physics
    Published by American Institute of Physics (AIP)
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  • 4
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    The exciton absorption spectrum of thin CuPb3Br7 superionic conductor films (2016)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2016-10-08
    Description: A study of the absorption spectrum of thin CuPb 2 Br 7 films in the 2–6 eV spectral and 90–500 K temperature ranges. It is shown that the exciton spectrum of the compound is associated with transitions in the lead ion. The temperature dependence of the spectral position and half-width of the low-frequency exciton band contains features associated with phase transitions γ → β ( T c 1  = 159 K) and β → α ( T c 2  = 434 K) and the disordering of the cation sublattice of the compound in the transition to the superionic state.
    Print ISSN: 1063-777X
    Electronic ISSN: 1090-6517
    Topics: Physics
    Published by American Institute of Physics (AIP)
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  • 5
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    Absorption spectrum of KPb2Cl5 thin films (2015)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2015-09-01
    Description: A study of the absorption spectrum of thin KPb 2 Cl 5 films, in the spectral range of 2–6 eV, within the temperature interval 90–520 K. It is found that low-frequency exciton states are localized in the sublattice of the compound containing the Pb 2+ ions, and that they are excitons of intermediate coupling having a two-dimensional nature.
    Print ISSN: 1063-777X
    Electronic ISSN: 1090-6517
    Topics: Physics
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  • 6
    Electronic Resource
    Electronic Resource
    Potentials of mean force of simple ions in ambient aqueous solution. I. Three-dimensional reference interaction site model approach (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 10391-10402 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We adapt the three-dimensional reference interaction site model (3D-RISM) to calculate the potentials of mean force for ion–molecular solution as a difference between the chemical potential of solvation of a cluster of solutes and of individual ones. The method yields the solvation structure around the cluster of solutes in detail. The solvation chemical potential is obtained for the three-dimensional hypernetted chain (3D-HNC) closure as well as for its partial linearization (3D-PLHNC approximation). The solvation chemical potential is obtained in a closed analytical form for both the 3D-HNC and 3D-PLHNC closures. The 3D-RISM integral equations are solved by using the supercell technique. A straightforward supercell treatment of ionic solute in polar molecular solvent leads to a big error in the potential of mean force as well as the solvation chemical potential, which for simple ions in water amounts to about 35 kcal/mol. We elaborated corrections to the 3D-RISM integral equations, alleviating the artifact of the supercell periodicity with an accuracy of 0.05 kcal/mol or better and restoring the long-range asymptotics of the solute–solvent correlation functions. The dielectrically consistent site–site RISM/HNC theory (DRISM/HNC) is employed for the solvent correlations to provide a proper description of the dielectric properties of solution. This allowed us to extend the description to solution at a finite salt concentration. We converge both the 3D-RISM and site–site DRISM integral equations by using the method of modified direct inversion in the iterative subspace. Owing to the proper initial guess of the correlation functions, iteration begins at once for a given temperature and full molecular charge, avoiding a gradual decrease of the temperature and increase of the site charges, which greatly reduces the computation time. We calculate and discuss the potentials of mean force for sodium chloride in ambient water at infinite dilution as well as at a finite concentration. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481676
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  • 7
    Electronic Resource
    Electronic Resource
    Potentials of mean force of simple ions in ambient aqueous solution. II. Solvation structure from the three-dimensional reference interaction site model approach, and comparison with simulations (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 10403-10417 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We applied the three-dimensional reference interaction site model (3D-RISM) integral equation theory with the 3D hypernetted chain (3D-HNC) closure or its partial linearization (3D-PLHNC) to obtain the potentials of mean force (PMFs) and the solvation structure of sodium chloride in ambient water. The bulk solvent correlations are treated by the dielectrically consistent site–site RISM/HNC theory (DRISM/HNC) to provide a proper description of the dielectric properties of solution and to include the case of a finite salt concentration. The PMF is calculated as a difference in the solvation free energy of an ion pair and of individual ions. We obtained and analyzed in detail the PMFs and solvation structure for ion pairs of NaCl at infinite dilution and a concentration of 1 M. The results are in reasonably good agreement with molecular dynamics simulations for the same model of the solution species. Positions and orientations of water molecules in the first solvation shell around the ion pair are deduced. The short-range hydration structure of the ion pairs at infinite dilution and at moderate concentration is very similar. Ionic ordering and clustering is found in 1 M solution. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481677
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  • 8
    Electronic Resource
    Electronic Resource
    Femtosecond hole-burning spectroscopy with stimulated emission pumping and supercontinuum probing (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 1894-1900 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A novel broadband femtosecond version of the stimulated emission pumping (SEP) technique is demonstrated. A nonstationary ground state of a molecular sample in the condensed phase is prepared by two optical pulses. The first picosecond PUMP pulse resonantly excites the sample. The second femtosecond DUMP pulse, which is tuned to the molecular fluorescence band, is applied after relaxation in the excited state and creates a "particle" in the ground state and a "hole" in the excited state. The relaxation of this system is probed by a femtosecond supercontinuum. An advantage of the proposed scheme is that the hole contribution is constant for certain conditions, and hence, the transient absorption spectrum of the particle may be isolated. As an application of the technique, the ground-state evolution of coumarin 102 in acetonitrile is studied. Intramolecular vibrational redistribution (IVR), with a characteristic time τIVR∼10 fs, is observed in the frequency domain. Subsequently, the absorption band shifts to the blue and shows isosbestic points in the course of relaxation. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476766
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  • 9
    Electronic Resource
    Electronic Resource
    Self-consistent description of a metal–water interface by the Kohn–Sham density functional theory and the three-dimensional reference interaction site model (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 110 (1999), S. 10095-10112 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We have developed a self-consistent description of an interface between a metal and a molecular liquid by combination of the density functional theory in the Kohn–Sham formulation (KS DFT) for the electronic structure, and the three-dimensional generalization of the reference interaction site model (3D RISM) for the classical site distribution profiles of liquid. The electron and classical subsystems are coupled in the mean field approximation. The procedure takes account of many-body effects of dense fluid on the metal–liquid interactions by averaging the pseudopotentials of liquid molecules over the classical distributions of the liquid. The proposed approach is substantially less time-consuming as compared to a Car–Parrinello-type simulation since it replaces molecular dynamics with the integral equation theory of molecular liquids. The calculation has been performed for pure water at normal conditions in contact with the (100) face cubic centered (fcc) surface of a metal roughly modeled after copper. The results are in good agreement with the Car–Parrinello simulation for the same metal model. The shift of the Fermi level due to the presence of water conforms with experiment. The electron distribution near an adsorbed water molecule is affected by dense water, and so the metal–water attraction follows the shapes of the metal effective electrostatic potential. For the metal model employed, it is strongest at the hollow site adsorption positions, and water molecules are adsorbed mainly at the hollow and bridge site positions rather than over metal atoms. Layering of water molecules near the metal surface is found. In the first hydration layer, adsorbed water molecules are oriented in parallel to the surface or tilted with hydrogens mainly outwards the metal. This orientation at the potential of zero charge agrees with experiment. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.478883
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  • 10
    Electronic Resource
    Electronic Resource
    The structure and adsorption of the four bonding sites model for associating fluids in disordered porous media from replica Ornstein–Zernike integral equation theory (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 108 (1998), S. 8651-8661 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A model for a network-forming associating fluid in which each of the particles have four sites available for bonding is considered. The model possesses liquid–gas transition in the absence of attractive long-range nonassociative interactions. We have studied the adsorption of the fluid in a disordered porous media that corresponds to an equilibrium configuration of hard spheres. The associative replica Ornstein–Zernike (ROZ) equations are solved with the Percus–Yevick (PY) and hypernetted chain (HNC) closures and with the ideal network approximation. The pair distribution functions and the structure factors have been obtained. The adsorption isotherms have been calculated using a system of hard spheres adsorbed in a hard-sphere matrix as a reference. The associative contribution to the chemical potential follows from Wertheim's thermodynamic perturbation theory, however, with monomer fraction from the solution of the ROZ equations. The liquid–vapor coexistence curve has been evaluated. We have observed shrinking of the coexistence envelope with increasing matrix density. The critical temperature and the critical density are sensitive to the density of adsorbent. Both decrease with increasing matrix density. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476295
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