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991.
992.
For several honeys from different countries, we study the dependence of the Logarithmic Shift Factor (LSFLSF) with temperature that obeys the Williams–Landel–Ferry equation. We find that the LSFLSF may be expressed in terms of a linear equation. On the other hand, the viscosities of different honeys present a corresponding state behavior through a master plot in terms of an adimensional temperature. This kind of behavior has been reported for other glass formers.  相似文献   
993.
In this paper thermally induced entanglement between a two-level atom and photons inside a bimodal nonlinear coupler is studied. The interaction occurs in the presence of a centrosymmetric medium which couples the two photonic modes via the first and third order susceptibilities. Such effects on the atom–photons interaction, however, are assumed negligible so that the linear Jaynes–Cummings model applies. It is further assumed that the coupler is held at a temperature TT, so that each of the combined atom–photon states, with a definite, TT dependent, probability, is present. The partially transposed density matrix and, consequently, the negativity, as a measure of entanglement, are determined as functions of temperature. The negativity so calculated shows that the system of a two-level atom and photons is separable at zero temperature, becomes more entangled, reaching the maximal at a certain temperature and asymptotically disentangles. Effect of medium characteristics on such behavior is also discussed.  相似文献   
994.
995.
Energies for the first four singlet and triplet S states of a helium atom confined at the center of an impenetrable sphere are reported. All calculations used explicitly correlated Hylleraas basis sets. The first triplet state is shown to lie below the first excited singlet state only when the confinement radius is greater than 0.988a00.988a0. A simple configuration interaction calculation was performed in parallel with Hylleraas calculation. The one-electron atomic orbitals of the configuration treatment provide insight into the physical concepts behind the numerical results of the Hylleraas treatment. This was particularly helpful in understanding the level crossing and avoided crossings observed with changing confinement radius.  相似文献   
996.
The temperature dependent anomalous peak in the amide I band of crystalline acetanilide is thought to be due to self-trapped states. On the contrary, according to the present model, the anomalous peak comes from the fraction of ACN molecules strongly hydrogen-bonded to a neighboring ACN molecule, and its intensity decreases because, on average, this fraction decreases as temperature increases. This model provides, for the first time, an integrated and theoretically consistent view of the temperature dependence of the full amide I band and a qualitative explanation of some of the features of nonlinear pump–probe experiments.  相似文献   
997.
Investigations within the local spin density functional theory (LSDF) of the intermetallic hydride system CeRhSnHx were carried out for discrete model compositions in the range 0.33 ≤xH ≤ 1.33 with the purpose of assessing the change of the cerium valence state in the neighborhood of the experimental hydride composition, CeRhSnH0.8. In agreement with experiment, the analyses of the electronic and magnetic structures and of the chemical bonding properties point to trivalent cerium for 1 ≤xH ≤ 1.33. In contrast, for lower hydrogen amounts the hydride system stays in an intermediate-valent state for cerium, like in CeRhSn. The influence of the insertion of hydrogen is addressed from both the volume expansion and chemical bonding effects. The latter are found to have the main influence on the change of Ce valence character. Spin polarized calculations point to a finite magnetic moment carried by the Ce 4f states; its magnitude increases with xH in the range 1 ≤xH ≤ 1.33.  相似文献   
998.
A mesoscopic Josephson junction with dissipation is considered. Usually the dissipation in the system is described as a consequence of its coupling to a reservoir. By solving the master equation we show that the state of the junction can evolve in a quantum superposition of two coherent states even when the dissipation is present.``  相似文献   
999.
    
Data describing the insertion of sulphur dioxide into the carbon―tin bond of a range of substituted phenyltrimethyltin compounds in methanol and benzene solvents have been reconsidered. The reaction in methanol is cleanly second order, but the reaction in benzene has both a second‐order and third‐order component, the latter ascribable to an initial equilibrium formation of a SO2 complex with the phenyl ring followed by the insertion of a second SO2 molecule into the carbon–tin bond. Molecular orbital calculations have identified the transition states (TS) and the favoured reaction pathways for the second‐order and third‐order reaction pathways in benzene. The effects of solvents on TS and enthalpies of reaction have also been examined. New insights into the types of TS involved in electrophilic substitution reactions are revealed. Copyright © 2013 John Wiley & Sons, Ltd.  相似文献   
1000.
    
The concept of self-entanglement is introduced to describe a mixed state or ensemble density as a pure state in an augmented Hilbert space formed by the products of the individual states forming a mixed state (or ensemble). We use this representation of mixed states to show that upon dissociation a neutral homonuclear diatomic molecule will separate into two neutral atoms.  相似文献   
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