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Dennis Kretschmann Dirk Schlingemann Reinhard F. Werner 《Journal of Functional Analysis》2008,255(8):1889-1904
We show a continuity theorem for Stinespring's dilation: two completely positive maps between arbitrary C∗-algebras are close in cb-norm if and only if we can find corresponding dilations that are close in operator norm. The proof establishes the equivalence of the cb-norm distance and the Bures distance for completely positive maps. We briefly discuss applications to quantum information theory. 相似文献
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The Feynman path integral Monte Carlo approach has been coupled to the gauge including atomic orbital formalism in order to analyse the absolute magnetic shieldings of the benzene nuclei under the conditions of thermal equilibrium. The Hamiltonian employed in the derivation of ensemble averaged NMR quantities is of the Hartree-Fock type. The basis set used is of 6–31G quality. The spatial delocalization of the atoms leads to a deshielding of both types of benzene nuclei relative to the shieldings experienced at the minimum of the potential energy surface. This deshielding has to be traced back to bond length elongations in thermal equilibrium. The influence of the nuclear fluctuations on the NMR parameters of benzene is quantum driven up to temperatures of 400 K; classical fluctuations are of minor importance in this low-temperature window. 相似文献
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Theory of emission spectra from metal films irradiated by low energy electrons near normal incidence
The emission spectrum produced by low energy electrons incident on a rough metal surface has been calculated for a roughness auto-correlation function containing a prominent peak at a high wave vector. For low energy electrons near normal incidence, the high wavevector peak dominates the roughness coupled surface plasmon radiation (RCSPR) process. The calculation yields estimates of the ratio of RCSPR to transition radiation, the dependence of emission intensity on electron energy and the shape and position of the RCSPR peak. The most interesting result is that the high-wavevector roughness can split the RCSPR radiation into peaks lying above and below the asymptotic surface plasma frequency. The results are compared with data from Ag in the following paper. 相似文献
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Synthesis and Crystal Structures of Mercury(II) Iodide Complexes with 3- and 4-Pyridylmethylamino- and 4-Pyridylmethoxy Substituted Cyclophosphazene Ligands Multifunctional cyclophosphazene ligands with 2-, 3-, and 4-pyridylalkylamino- or 4-pyridylmethoxy groups, N3P3(OC6H5)5(NHCH2(C5H4N-2)) ( 1 ), N3P3(OC6H5)5 · (NHCH2(C5H4N-3)) ( 2 ), N3P3(OC6H5)5(NHCH2(C5H4N-4)) ( 3 ) and N3P3(OC6H5)5(OCH2(C5H4N-4)) ( 4 ) are accessible through reactions of monochlorpentaphenoxycyclotriphosphaza-1,3,5-trien with aminomethylpyridine or pyridyl methanolate. 1 does not react with mercury(II) iodide whereas 2–4 yield the metal complexes 2 a , 3 a , and 4 a by interactions of the pyridyl nitrogen atoms. The X-ray single crystal structure analyses of these compounds shows that 2 a and 4 a are dimers, whereas 3 a is a HgI2 polymer with syndiotacticaly arranged ligands. 相似文献
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Christopher Steffens Oliver Kretschmann Helmut Ritter 《Macromolecular rapid communications》2007,28(5):623-628
N‐Adamantylacrylamide ( 3 ) was complexed with randomly methylated β‐cyclodextrin (RAMEB) forming the water‐soluble host–guest monomer‐complex 3a . A 1:1 complex stoichiometry was proven by NMR titration (Job's method). We investigated the free radical polymerization of the complex 3a using the water‐soluble azoinitiator 2,2′‐azobis[2‐(2‐imidazolin‐2‐yl)‐propane]dihydrochloride (VA044) at different temperatures. We observed that, below Tcrit a solution polymerization of 3a takes place. Above Tcrit, a precipitation mechanism leads to an increase in the relative polymerization rate.