825 research outputs found
On discrete integrable equations of higher order
We study 2D discrete integrable equations of order 1 with respect to one
independent variable and with respect to another one. A generalization of
the multidimensional consistency property is proposed for this type of
equations. The examples are related to the B\"acklund--Darboux transformations
for the lattice equations of Bogoyavlensky type.Comment: 20 pages, 2 figure
Linear problems and B\"acklund transformations for the Hirota-Ohta system
The auxiliary linear problems are presented for all discretization levels of
the Hirota-Ohta system. The structure of these linear problems coincides
essentially with the structure of Nonlinear Schr\"odinger hierarchy. The
squared eigenfunction constraints are found which relate Hirota-Ohta and
Kulish-Sklyanin vectorial NLS hierarchies.Comment: 11 pages, 1 figur
LAPW vs. LMTO full-potential simulations and anharmonic dynamics of KNbO3
With the aim to get an insight in the origin of differences in the earlier
reported calculation results for KNbO3 and to test the recently proposed
implementation of the FP-LMTO method by Methfessel and van Schilfgaarde, we
perform a comparative study of the ferroelectric instability in KNbO3 by
FP-LMTO and LAPW methods. It is shown that a high precision in the description
of the charge density variations over the interstitial region in perovskite
materials is essential; the technical limitations of the accuracy of
charge-density description apparently accounted for previously reported slight
disagreement with the LAPW results. With more accurate description of the
charge density by sufficiently fine real-space grid, the results obtained by
both methods became almost identical.
In order to extract additional information (beyond the harmonic
approximation) from the total energy fit obtainable in total-energy
calculations, a scheme is proposed to solve the multidimensional vibrational
Schroedinger equation in the model of non-interacting anharmonic oscillators
via the expansion in hyperspherical harmonics.Comment: 11 pages, 2 figures, uses aipproc.sty. Presented at the Fifth
Williamsburg Workshop on First-Principles Calculations for Ferroelectric
Limits of structure stability of simple liquids revealed by study of relative fluctuations
We analyse the inverse reduced fluctuations (inverse ratio of relative volume
fluctuation to its value in the hypothetical case where the substance acts an
ideal gas for the same temperature-volume parameters) for simple liquids from
experimental acoustic and thermophysical data along a coexistence line for both
liquid and vapour phases. It has been determined that this quantity has a
universal exponential character within the region close to the melting point.
This behaviour satisfies the predictions of the mean-field (grand canonical
ensemble) lattice fluid model and relates to the constant average structure of
a fluid, i.e. redistribution of the free volume complementary to a number of
vapour particles. The interconnection between experiment-based fluctuational
parameters and self-diffusion characteristics is discussed. These results may
suggest experimental methods for determination of self-diffusion and structural
properties of real substances.Comment: 5 pages, 4 figure
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