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Q. Sun Q. Wang X.G. Gong V. Kumar Y. Kawazoe 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(1):77-81
We report results of the atomic and electronic structures of Al7C cluster using ab initio molecular dynamics with ultrasoft pseudopotentials and generalized gradient approximation. The lowest energy structure is
found to be the one in which carbon atom occupies an interstitial position in Al7 cluster. The electronic structure shows that the recent observation [Chem. Phys. Lett. 316, 31 (2000)] of magic behavior of Al7C- cluster is due to a large highest occupied and lowest unoccupied molecular orbital (HOMO-LUMO) gap which makes Al7C- chemically inert. These results have further led us to the finding of a new neutral magic cluster Al7N which has the same number of valence electrons as in Al7C- and a large HOMO-LUMO gap of 1.99 eV. Further, calculations have been carried out on (Al7N)2 to study interaction between magic clusters.
Received 28 July 2001 相似文献
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Let T be a bounded linear operator on Hilbert space H, M an invariant subspace of T. If there exists another invariant subspace N of T such that H = M + N and M ∩ N = 0, then M is said to be a completely reduced subspace of T. If T has a nontrivial completely reduced subspace, then T is said to be completely reducible; otherwise T is said to be completely irreducible. In the present paper we briefly sum up works on completely irreducible operators that
have been done by the Functional Analysis Seminar of Jilin University in the past ten years and more.
The paper contains four sections. In section 1 the background of completely irreducible operators is given in detail. Section
2 shows which operator in some well-known classes of operators, for example, weighted shifts, Toeplitz operators, etc., is
completely irreducible. In section 3 it is proved that every bounded linear operator on the Hilbert space can be approximated
by the finite direct sum of completely irreducible operators. It is clear that a completely irreducible operator is a rather
suitable analogue of Jordan blocks in L(H), the set of all bounded linear operators on Hilbert space H. In section 4 several questions concerning completely irreducible operators are discussed and it is shown that some properties
of completely irreducible operators are different from properties of unicellular operators.
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Translated from Acta Sci. Nat. Univ. Jilin, 1992, (4): 20–29 相似文献
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The fuzzification of convex sets in median algebras is considered, and some of their properties are investigated. A characterization of finite valued fuzzy convex set is given. 相似文献
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Jong Chan Lee Jin Young Park So Young Yoon Yong Hun Bae Seung Jun Lee 《Tetrahedron letters》2004,45(1):191-193
A novel and direct method for the synthesis of α-halocarbonyl compounds using sequential treatment of carbonyl compounds with [hydroxy(tosyloxy)iodo]benzene followed by magnesium halides under solvent-free microwave irradiation conditions is described. 相似文献
8.
Singlet-Triplet Transition in Quantum Dots Confined by Triangular and Bowl-Like Potentials: the Effect of Electric Fields 下载免费PDF全文
We theoretically investigate the energy spectra of two-electron two-dimensional (2e 2D) quantum dots (QDs) confined by triangular potentials and bowl-like potentials in a magnetic field by exact diagonalization in the framework of effective mass theory. An in-plane electric field is found to contribute to the singlet-triplet transition of the ground state of the 2e 2D QDs confined by triangular or bowl-like potentials in a perpendicular magnetic field. The stronger the in-plane electric field, the smaller the magnetic field for the total spin of the ground states in the dot systems to change from S = 0 to S = 1. However, the influence of an in-plane electric field on the singlettriplet transition of the ground state of two electrons in a triangular QD modulated by a perpendicular magnetic field is quite small because the triangular potential just deviates from the harmonic potential well slightly. We find that the strength of the perpendicular magnetic field needed for the spin singlet-triplet transition of the ground state of the QD confined by a bowl-like potential is reduced drastically by applying an in-plane electric field. 相似文献
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We have rigorously calculated for the first time all the inter-electrode and pixel capacitances of Thin-Film Transistor Liquid Crystal Displays using the electrical energy distribution inside a liquid crystal cell. The energy distribution is obtained from the three-dimensional profiles of potential distribution and molecular director. The dynamic equation of continuum theory for liquid crystals is described in a tensorial form in order to maintain the equivalence of n and -n . The effects of lateral fields generated by multiple electrodes of finite sizes are taken into account in the simulation. As a numerical technique, we used a finite difference method which is suitable for the highly non-linear equations. As a result, we confirmed that the pixel capacitance for our pixel structure is about 40% larger than that of the conventional approach. It is also revealed that the gate-common and gate-data inter-electrode capacitances are not negligible. 相似文献
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The inhomogeneous Dirichlet problems concerning divergence form elliptic equations are studied. Optimal regularity requirements on the coefficients and domains for the W1,p theory, 1 < p < ∞, are obtained. The principal coefficients are supposed to be in the John‐Nirenberg space with small BMO seminorms. The domain is a Reifenberg domain. These conditions for the W1,p theory not only weaken the requirements on the coefficients but also lead to a more general geometric condition on the domains. In fact, these domains might have fractal dimensions. © 2004 Wiley Periodicals, Inc. 相似文献