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141.
Electronic properties of model quantum-dot structures in zero and finite magnetic fields 总被引:1,自引:0,他引:1
H. Saarikoski E. Räsänen S. Siljamäki A. Harju M.J. Puska R.M. Nieminen 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,26(2):241-252
We have computed electronic structures and total energies of circularly confined two-dimensional quantum dots and their lateral
dimers in zero and finite uniform external magnetic fields using different theoretical schemes: the spin-density-functional
theory (SDFT), the current-and-spin-density-functional theory (CSDFT), and the variational quantum Monte Carlo (VMC) method.
The SDFT and CSDFT calculations employ a recently-developed, symmetry-unrestricted real-space algorithm allowing solutions
which break the spin symmetry. Results obtained for a six-electron dot in the weak confinement limit and in zero magnetic
field as well as in a moderate confinement and in finite magnetic fields enable us to draw conclusions about the reliability
of the more approximative SDFT and CSDFT schemes in comparison with the VMC method. The same is true for results obtained
for the two-electron quantum dot dimer as a function of inter-dot distance. The structure and role of the symmetry-breaking
solutions appearing in the SDFT and CSDFT calculations for the above systems are discussed.
Received 16 October 2001 and Received in final form 17 January 2002 相似文献
142.
We prove that, for any given vertex ν* in a series-parallel graph G, its edge set can be partitioned into κ = min{κ′(G) + 1, δ(G)} subsets such that each subset covers all the vertices of G possibly except for ν*, where δ(G) is the minimum degree of G and κ′(G) is the edge-connectivity of G. In addition, we show that the results in this paper are best possible and a polynomial time algorithm can be obtained for
actually finding such a partition by our proof. 相似文献
143.
Matthias Kriesell 《Graphs and Combinatorics》2002,18(1):133-146
Let k≤n be positive integers. A finite, simple, undirected graph is called k-critically n-connected, or, briefly, an (n,k)-graph, if it is noncomplete and n-connected and the removal of any set X of at most k vertices results in a graph which is not (n−|X|+1)-connected. We present some new results on the number of vertices of an (n,k)-graph, depending on new estimations of the transversal number of a uniform hypergraph with a large independent edge set.
Received: April 14, 2000 Final version received: May 8, 2001 相似文献
144.
M. Gutowski I. Dabkowska J. Rak S. Xu J.M. Nilles D. Radisic K.H. Bowen Jr 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(3):431-439
The photoelectron spectra (PES) of anions of uracil-glycine and uracil-phenylalanine complexes reveal broad features with
maxima at 1.8 and 2.0 eV. The results of ab initio density functional B3LYP and second order M?ller-Plesset theory calculations indicate that the excess electron occupies a
π* orbital localized on uracil. The excess electron attachment to the complex can induce a barrier-free proton transfer (BFPT)
from the carboxylic group of glycine to the O8 atom of uracil. As a result, the four most stable structures of the anion of
uracil-glycine complex can be characterized as the neutral radical of hydrogenated uracil solvated by the anion of deprotonated
glycine. The similarity between the PES spectra for the uracil complexes with glycine and phenylalanine suggests that the
BFPT is also operative in the case of the latter anionic species. The BFPT to the O8 atom of uracil may be related to the
damage of nucleic acid bases by low energy electrons because the O8 atom is involved in a hydrogen bond with adenine in the
standard Watson-Crick pairing scheme.
Received 6 April 2002 Published online 13 September 2002 相似文献
145.
T.M. Mishonov N. Chéenne D. Robbes J.O. Indekeu 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,26(3):291-296
The generation of harmonics of the voltage response is considered when an AC current is applied through a superconducting
film above Tc. It is shown that almost at all temperatures the mechanism of the temperature oscillations created by the AC current and
the temperature dependence of the resistance dominates over the isothermal nonlinear electric conductivity. Only in a narrow
critical region close to Tc the latter is essential for the generation of the harmonics. A detailed investigation of harmonics generation provides an
accurate method for measuring the thermal boundary conductance between the film and the insulating substrate. The critical
behaviour of the third harmonic will give a new method for the determination of the lifetime of metastable Cooper pairs above
Tc. The comparison of the calculated fifth harmonics of the voltage with the experiment is proposed as an important test for
the applicability of the employed theoretical models.
Received 8 September 2001 相似文献
146.
Xuechao Li 《Graphs and Combinatorics》2006,22(4):503-513
In this paper, we give new lower bounds for the size of Δ-critical graphs with Δ=8,9 which improve the partial results of
Luo [6] and Y. Zhao [12]. 相似文献
147.
Necessary and sufficient conditions in constrained optimization 总被引:22,自引:0,他引:22
Additional conditions are attached to the Kuhn-Tucker conditions giving a set of conditions which are both necessary and sufficient
for optimality in constrained optimization, under appropriate constraint qualifications. Necessary and sufficient conditions
are also given for optimality of the dual problem. Duality and converse duality are treated accordingly. 相似文献
148.
A tree T is arbitrarily vertex decomposable if for any sequence τ of positive integers adding up to the order of T there is a sequence of vertex-disjoint subtrees of T whose orders are given by τ. An on-line version of the problem of characterizing arbitrarily vertex decomposable trees is completely solved here. 相似文献
149.
In this paper, we first reduce the problem of finding a minimum parity (g,f)-factor of a graph G into the problem of finding a minimum perfect matching in a weighted simple graph G*. Using the structure of G*, a necessary and sufficient condition for the existence of an even factor is derived.
This paper was accomplished while the second author was visiting the Center for Combinatorics, Nankai University.
The research is supported by NSFC 相似文献
150.
Sadaharu Jo 《Applied Surface Science》2006,252(10):3514-3519
The morphologies and lattice structures of anthracene single crystals grown from the vapor phase were investigated using optical microscopy, phase contrast microscopy, atomic force microscopy (AFM), and X-ray diffraction analysis. Common morphologies with hexagonal large planes were observed irrespective of crystal size. The observation of certain surface morphologies with a phase contrast microscopy revealed that the spiral steps originated from screw dislocations present on the (0 0 1) planes. Moreover, the center and edge of the (0 0 1) planes had large curvatures, similar to hills. Resultantly, quarter-monolayer (ML) steps were observed on the large and flat planes between both hills. 相似文献