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11.
Using a density-functional method that employs linear combinations of atomic orbitals as basis sets, nonlocal norm-conserving pseudopotentials and the generalized gradient approximation for exchange and correlation, we found that at 0 K the atoms of an Fe monolayer on the Ni (111) surface occupy hcp rather than fcc sites, in keeping with previous predictions made using the ab initio all-electron full-potential linearized augmented plane wave method with the local spin density approximation. 相似文献
12.
Rafael Tiedra de Aldecoa 《Annales Henri Poincare》2006,7(1):105-124
Although many physical arguments account for using a modified definition of time delay in multichannel-type scattering processes,
one can hardly find rigorous results on that issue in the literature. We try to fill in this gap by showing, both in an abstract
setting and in a short-range case, the identity of the modified time delay and the Eisenbud-Wigner time delay in waveguides.
In the short-range case we also obtain limiting absorption principles, state spectral properties of the total Hamiltonian,
prove the existence of the wave operators and show an explicit formula for the S-matrix. The proofs rely on stationary and commutator methods.
Communicated by Yosi Avron
submitted 12/04/05, accepted 13/05/05 相似文献
13.
Rafael Ortega 《Journal of Dynamics and Differential Equations》1992,4(4):651-665
This paper gives sufficient conditions for the existence of periodic solutions of twist type of a time-dependent differential equation of the second order. The concept of periodic solution of twist type is defined in terms of the corresponding Birkhoff normal form and, in particular, implies that the solution is Lyapunov stable. Some applications to nonlocal problems are given. 相似文献
14.
Currently, most combinatorial optimisation problems have to be solved, if the optimum solution is sought, using general techniques
to explore the space of feasible solutions and, more specifically, through exploratory enumerative procedures in trees and
search graphs. We propose Branch and Win, a general formulation for understanding and synthesising the different tree search
procedures that have been presented in the literature of operations research as well as in that of artificial intelligence.
Several general ideas are also presented, whose application allows designing new hybrid search algorithms, in order to implement
the procedure. 相似文献
15.
Summary A new, rapid and simple method is described and applied to resolve and quantify mixtures of prednisolone, Zn-bacitracin and phenylephrine. The determination was accomplished by MEKC. The separation was carried out at 25 °C and 30 kV, using a 5 mM phosphate-5 mM borate buffer (pH=8.2), 40 mM SDS as background electrolyte. Under these conditions, the run time was 6.6 min and the limits of quantification were about 1.0 mg L–1 for every component. Repeatability and reproducibility studies were achieved showing no significant differences at 95% confidence level. The MEKC method has been applied for quantifying these compounds in different commercials pharmaceuticals products, without separations steps. 相似文献
16.
Rafael D. Sorkin 《Communications in Mathematical Physics》1988,115(3):421-434
The normal correlation between spin and statistics is shown to be valid for arbitrary kinks, among them theSU(n) Skyrmions forn3. It is assumed in the proof that no gauge-ambiguity attaches to the values of the underlying scalar field, and that conversely each configuration of this field is represented quantum mechanically by a Hilbert subspace of dimension precisely one.Supported in part by NSF Grant No. PHY 83-18350 相似文献
17.
Consider the Schrödinger equation –u+V(x)u=u on the intervalI, whereV(x)0 forxI and where Dirichlet boundary conditions are imposed at the endpoints ofI. We prove the optimal bound
相似文献
18.
A continuous precipitation flame atomization atomic absorption spectrometric method for the indirect determination of sulphate is proposed. By using a reversed flow-injection configuration for precipitation as barium sulphate, this anion was determined in the range 10–150 g/ml, with a relative standard deviation of 2.6%. The sensitivity was increased by a factor of seven by using a nitrous oxide-acetylene flame to measure barium. 相似文献
19.
Strategically designed sample composition (SSC) is a new technique that decreases the number of analytical determinations needed in routine screening to as few as the number of original sample specimens while providing information that is specific to them. Although this new technique has been applied to environmental studies, this paper describes its first application to food safety studies. Contamination of milk samples with polychlorinated biphenyls (PCBs) was chosen as a case study to show the usefulness and potential of the SSC technique with a fast analytical procedure that involves saponification of the samples and solid-phase microextraction of the PCBs. A total of 20 sample specimens can be analyzed in 11 determinations with excellent predictions of the positive samples and the concentration levels of the contaminants. The robustness of the strategy was investigated and demonstrated. 相似文献
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