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151.
Gunhild U. von Oertzen 《Journal of Physics and Chemistry of Solids》2007,68(3):324-330
Ab initio density functional calculations (plane wave GGA, CASTEP) were performed to determine the effect of O deficiency on the electronic structure of rutile, TiO2. O deficiency was introduced through either the removal of O or the insertion of interstitial Ti atoms. At physically realistic concentrations of O vacancies in the rutile lattice (i.e. 25% and less) O deficiency results in the population of the bottom of the conduction band, the location of the Ti 3d orbitals in the pure structure, increasingly with increasing vacancy concentration. We propose that this could be confused with the formation and population of gap states especially where O vacancies occur in isolated positions in the lattice. In contrast, Ti interstitials introduce a defect state into the energy gap, without an overall reduction in the size of the energy gap. O vacancies result in a spin polarized solution, whereas Ti interstitials do not. 相似文献
152.
A. BOURHIM 《数学年刊B辑(英文版)》2004,25(3):369-382
In this note, the local spectral properties of unilateral operator weighted shifts arestudied. 相似文献
153.
Alexander G. Ramm Alexandra B. Smirnova Angelo Favini 《Annali di Matematica Pura ed Applicata》2003,182(1):37-52
A nonlinear operator equation F(x)=0, F:H→H, in a Hilbert space is considered. Continuous Newton’s-type procedures based on a construction of a dynamical system with
the trajectory starting at some initial point x
0 and becoming asymptotically close to a solution of F(x)=0 as t→+∞ are discussed. Well-posed and ill-posed problems are investigated.
Received: June 29, 2001; in final form: February 26, 2002?Published online: February 20, 2003
This paper was finished when AGR was visiting Institute for Theoretical Physics, University of Giessen. The author thanks
DAAD for support 相似文献
154.
For a conformal manifold we introduce the notion of an ambient connection, an affine connection on an ambient manifold of
the conformal manifold, possibly with torsion, and with conditions relating it to the conformal structure. The purpose of
this construction is to realise the normal conformal Tractor holonomy as affine holonomy of such a connection. We give an
example of an ambient connection for which this is the case, and which is torsion free if we start the construction with a
C-space, and in addition Ricci-flat if we start with an Einstein manifold. Thus, for a C-space this example leads to an ambient metric in the weaker sense of Čap and Gover, and for an Einstein space to a Ricci-flat
ambient metric in the sense of Fefferman and Graham.
Current address for first author: Erwin Schr?dinger International Institute for Mathematical Physics (ESI), Boltzmanngasse
9, 1090 Vienna, Austria
Current address for second author: Department of Mathematics, University of Hamburg, Bundesstra?e 55, 20146 Hamburg, Germany 相似文献
155.
PURE STATE APPROACH TO C(x)_αZ_nLIBINGREN;LINQING(InstituteofMathematics,AcademiaSinica,Beijing100080,China.Projectsupportedbyth?.. 相似文献
156.
O. N. Karpenkov 《Monatshefte für Mathematik》2007,152(3):217-249
In this paper we develop an integer-affine classification of three-dimensional multistory, completely empty convex marked
pyramids. We apply it to obtain the complete lists of compact two-dimensional faces of multidimensional continued fractions
lying in planes at integer distances 2, 3, 4, … to the origin. The faces are considered up to the action of the group of
integer-linear transformations. 相似文献
157.
《Magnetic resonance in chemistry : MRC》2003,41(9):660-670
Reduced forms of iso‐α‐acids (isohumulones), used in modern beer brewing were separated and characterized by 1H and 13C NMR spectroscopy. Components from mixtures of rho‐iso‐α‐acids, tetrahydro‐iso‐α‐acids, and hexahydro‐iso‐α‐acids were isolated using high‐performance liquid chromatography (HPLC) and analyzed by use of one‐ and two‐dimensional NMR experiments. The data presented assign the identities of the main peaks in the HPLC traces for the reduced iso‐α‐acids. Previous tentative assignments regarding the cis and trans configurations and the structures of the acyl residues of the reduced iso‐α‐acids were confirmed and extensive NMR assignments were made. Furthermore, the previously unknown stereochemistry in the C‐4 side‐chain of the rho‐ and hexahydro‐iso‐α‐acids was assigned. Copyright © 2003 John Wiley & Sons, Ltd. 相似文献
158.
M. C. Crabb 《Journal of Fixed Point Theory and Applications》2007,2(2):171-193
We describe an equivariant version (for actions of a finite group G) of Dold’s index theory, [10], for iterated maps. Equivariant Dold indices are defined, in general, for a G-map U → X defined on an open G-subset of a G-ANR X (and satisfying a suitable compactness condition). A local index for isolated fixed-points is introduced, and the theorem
of Shub and Sullivan on the vanishing of all but finitely many Dold indices for a continuously differentiable map is extended
to the equivariant case. Homotopy Dold indices, arising from the equivariant Reidemeister trace, are also considered.
相似文献
159.
Yanghyun Byun 《Topology》2007,46(5):507-525
We construct a sphere fibration over a finite aspherical Poincaré complex X, which we call the tangential end fibration, under the condition that the universal cover of X is forward tame and simply connected at infinity. We show that it is tangent to X if the formal dimension of X is even or, when the formal dimension is odd, if the diagonal X→X×X admits a Poincaré embedding structure. 相似文献
160.
A fictitious domain approach to the numerical solution of PDEs in stochastic domains 总被引:1,自引:0,他引:1
We present an efficient method for the numerical realization of elliptic PDEs in domains depending on random variables. Domains
are bounded, and have finite fluctuations. The key feature is the combination of a fictitious domain approach and a polynomial
chaos expansion. The PDE is solved in a larger, fixed domain (the fictitious domain), with the original boundary condition
enforced via a Lagrange multiplier acting on a random manifold inside the new domain. A (generalized) Wiener expansion is
invoked to convert such a stochastic problem into a deterministic one, depending on an extra set of real variables (the stochastic
variables). Discretization is accomplished by standard mixed finite elements in the physical variables and a Galerkin projection
method with numerical integration (which coincides with a collocation scheme) in the stochastic variables. A stability and
convergence analysis of the method, as well as numerical results, are provided. The convergence is “spectral” in the polynomial
chaos order, in any subdomain which does not contain the random boundaries. 相似文献