Novel massive ground states of spin chains in a magnetic field

Novel massive quantum states appearing in spin chains under a strong magnetic field are discussed. These states lead to plateaus in magnetization curves. When the systems are axially symmetric and the field is applied parallel to the symmetry-axis, the phenomena are analogous to metal-insulator transitions. Striking features of the plateau phenomena - exactness and rationality - are explained as consequences the commensurability condition to the underlying lattice. The effects of the planar anisotropy are also discussed in detail. Received: 16 February 1998 / Revised: 20 April 1998 / Accepted: 30 April 1998     

ANISOTROPIC EFFECTS OF QUASI-ISOTROPIC COMPOSITES(I)──MODELLING

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Paleoastrophysics and cosmic rays

Summary A discussion is given of the status and potential of studying the cosmic-ray flux level over long time scales by high-precision measurement of cosmogenic isotopes content in natural archives of cosmic radiation. Invited talk given at the XXIV International Cosmic-Ray Conference, Rome, August 28–September 8, 1995.     

TRANSPORTATION THEORY OF MULTIPLE SCATTERING AND ITS APPLICATION TO SEISMIC CODA WAVES OF IMPULSE SOURCE

The energy distribution of elastic waves in an infinite elastic medium with uniformly and randomly distributed scatterers has been researched. The scattering process is assumed to be isotropic and without conversions between wave types. We get the equation on the distribution of energe density in time and space covering single as well as multiple scattering. Taking physical symmetry of the field into account, it can be simplified. In the case of small earthquakes, the energy source of elastic waves can be assumed as a short pulse emitted isotropically at t=0. The first-order approximate solution in the 3-dimensional space can be obtained, and it is equivalent to Sato's solution for single scattering. In the 2-dimensional space the complete analytical solution has been derived by the mathematical inductance which leads to a conclusion that the codas of surface waves can give the Q-factor related to intrinsic absorption. The equation obtained in this paper is more general.     

A critical study of basis set effects and the use of approximate natural orbitals in SCF-CI calculations of molecular geometries and heats of reaction

SCF-CI calculations have been performed on a number of chemical reactions between closed shell molecules in order to determine the heats of reaction. Contracted Gaussian type atomic basis sets of three different qualities were used and the CI calculations were performed in a truncated approximate natural orbital space. The conclusions to be drawn from these calculations are rather pessimistic. For heats of reaction, errors up to 6 kcal/mole are obtained on the SCF-level with a double zeta plus polarization atomic basis. A further improvement is only possible if extended basis sets are used. Correlation effects on heats of reaction are of the same size and CI calculations are therefore only meaningful with large atomic basis sets.For the CI calculations a one-electron space of approximate natural orbitals, obtained from second order RS perturbation theory, was used. Different truncations, using the occupation number as criterion, were tested. The general conclusion is that errors in energy differences obtained with a truncated basis set are of the same magnitude as the error in the total correlation energy. In practice this means that not more than 20–30% of the approximate natural orbitals can be deleted if the error is to be kept less than a few kcal/mole.Finally the truncation error in calculations of bond distances was tested for a few cases. Errors of around 10% of the total change due to correlation were found when 30% of the lowest occupied natural orbitals were deleted.     

The influence of extended conjugation on electroactive properties of copper phthalocyanine macromolecules

A monomer and polymer of a copper(II) phthalocyanine have been synthesized in order to develop structure-property relationships. Various electroactive properties such as dielectric constant, resistivity and thermally stimulated depolarization effects were investigated in order to examine the influence of extended conjugation.     

X-ray energy levels: Deviations between experimental and theoretical values

Energy values ofK, L _II andL _III levels calculated by the relativistic self consistent field method have been used to compute the energies ofKα _{1, 2} lines. These values deviate considerably from the experimental values due to Bearden and Burr. The deviations are discussed and given an empirical fit.     

Conductance of tetraalkylammonium salts in propylene carbonate at 25°C

Conductance measurements of 12 quaternary ammonium salts in propylene carbonate (PC) have been made at 25°C. The cations were either tetramethylammonium, tetraethylammonium, or tetra-n-butylammonium, and the concentrations of salt varied from about 2×10^–4 to 5×10^–3 M. The data were analyzed by the equation of Pitts. The results showed that the benzoate, nitrobenzoate, and pentachlorophenolate salts are completely dissociated. The nitrophenolate, chlorophenolate, methylsulfonate, and nitrate salts are only slightly associated (K _A from 2.5 to 6.5), while the acetate, phenylacetate, and nitrophenolate salts display somewhat more extensive association, with ionpair association constants from 17 to 45. Limiting molar conductances for the anions were derived. The factors affecting ionic mobilities in this dipolar aprotic solvent are discussed.On leave 1973–1975 from the University of Gdask, Poland.