998 resultados para Quantenchemie, Mukherjee Multireferenz-Coupled-Cluster, Analytische Gradienten, Parallelisierung, Biradikale
Resumo:
This paper presented results from a details and comprehensive simulation using finite element method of the practical operation of an electrical machine. The results it displayed have been used in practice to design more efficient equipment.
Resumo:
High- resolution UVES/ VLT spectra of B 12, an extreme pole- on Be star in the SMC cluster NGC 330, have been analysed using non-LTE model atmospheres to obtain its chemical composition relative to the SMC standard star AV304. We find a general underabundance of metals which can be understood in terms of an extra contribution to the stellar continuum due to emission from a disk which we estimate to be at the similar to 25% level. When this is corrected for, the nitrogen abundance for B12 shows no evidence of enhancement by rotational mixing as has been found in other non-Be B-type stars in NGC 330, and is inconsistent with evolutionary models which include the effects of rotational mixing. A second Be star, NGC330-B 17, is also shown to have no detectable nitrogen lines. Possible explanations for the lack of rotational mixing in these rapidly rotating stars are discussed, one promising solution being the possibility that magnetic fields might inhibit rotational mixing.
Resumo:
We present model atmosphere analyses of high resolution Keck and VLT optical spectra for three evolved stars in globular clusters, viz. ZNG-1 in M 10, ZNG-1 in M 15 and ZNG-1 in NGC 6712. The derived atmospheric parameters and chemical compositions confirm the programme stars to be in the post- Asymptotic Giant Branch (post-AGB) evolutionary phase. Differential abundance analyses reveal CNO abundance patterns in M 10 ZNG-1, and possibly M 15 ZNG-1, which Suggest that both objects may have evolved off the AGB before the third dredge-up occurred. The abundance pattern of these stars is similar to the third class of optically, bright post-AGB objects discussed by van Winckel (1997). Furthermore, M 10 ZNG-1 exhibits a large C underabundance (with Delta[C/O] similar to -1.6 dex), typical of other hot post-AGB objects. Differential Delta[alpha/Fe] abundance ratios in both M 10 ZNG-1 and NGC 6712 ZNG-1 are found to be approximately 0.0 dex, with the Fe abundance of the former being in disagreement with the cluster metallicity of M 10. Given that the Fe absorption features in both M 10 ZNG-1 and NGC6712 ZNG-1 are well observed and reliably modelled, we believe that these differential Fe abundance estimates to be secure. However, our Fe abundance is difficult to explain in terms of previous evolutionary processes that Occur oil both the Horizontal Branch and the AGB.
Resumo:
We propose an experimental implementation of a quantum game algorithm in a hybrid scheme combining the quantum circuit approach and the cluster state model. An economical cluster configuration is suggested to embody a quantum version of the Prisoners' Dilemma. Our proposal is shown to be within the experimental state of the art and can be realized with existing technology. The effects of relevant experimental imperfections are also carefully examined.
Resumo:
We provide an analysis of basic quantum-information processing protocols under the effect of intrinsic nonidealities in cluster states. These nonidealities are based on the introduction of randomness in the entangling steps that create the cluster state and are motivated by the unavoidable imperfections faced in creating entanglement using condensed-matter systems. Aided by the use of an alternative and very efficient method to construct cluster-state configurations, which relies on the concatenation of fundamental cluster structures, we address quantum-state transfer and various fundamental gate simulations through noisy cluster states. We find that a winning strategy to limit the effects of noise is the management of small clusters processed via just a few measurements. Our study also reinforces recent ideas related to the optical implementation of a one-way quantum computer.
Resumo:
High resolution spectra of seven early B-type giant/supergiant stars in the SMC cluster NGC330 are analysed to obtain their chemical compositions relative to SMC field and Galactic B-type stars. It is found that all seven stars are nitrogen rich with an abundance approximately 1.3 dex higher than an SMC main- sequence field B-type star, AV304. They also display evidence for deficiencies in carbon, but other metals have abundances typical of the SMC. Given the number of B-type stars with low projected rotational velocities in NGC330 (all our targets have v sin i <50 km s(-1)), we suggest that it is unlikely that the stars in our sample are seen almost pole-on, but rather that they are intrinsically slow rotators. Furthermore, none of our objects displays any evidence of significant Balmer emission excluding the possibility that these are Be stars observed pole-on. Comparing these results with the predictions of stellar evolution models including the effects of rotationally induced mixing, we conclude that while the abundance patterns may indeed be reproduced by these models, serious discrepancies exist. Most importantly, models including the effects of initially large rotational velocities do not reproduce the observed range of effective temperatures of our sample, nor the currently observed rotational velocities. Binary models may be able to produce stars in the observed temperature range but again may be incapable of producing suitable analogues with low rotational velocities. We also discuss the clear need for stellar evolution calculations employing the correct chemical mix of carbon, nitrogen and oxygen for the SMC.
Resumo:
Reproducible modulations in low-pressure, inductively coupled discharges operating in chlorine and argon-chlorine mixtures have been observed and studied. Changes in the light output, floating potential, negative ion fraction, and charged particle densities were observed. Here we report two types of unstable operational modes in an inductively coupled discharge. On the one hand, when the discharge was matched, to minimize reflected power, instabilities were observed in argon-chlorine plasmas over limited operating conditions of input power and gas pressure. The instability window decreased with increasing chlorine content and was observed for chlorine concentrations between 30% and 60% only. However, when operating at pressures below 5 mTorr and the discharge circuit detuned to increase the reflected power, modulations were observed in a pure chlorine discharge. These modulations varied in nature from a series of sharp bursts to a very periodic behavior and can be controlled, by variation of the matching conditions, to produce an apparent pulsed plasma environment. (C) 2005 American Institute of Physics.
Resumo:
First steps are taken to model the electrochemical deposition of metals in nanometer-sized cavities. In the present work, the electrochemical deposition of Cu atoms in nanometer-sized holes dug on Au(111) is investigated through Monte Carlo simulations using the embedded atom method to represent particle interactions. By sweeping the chemical potential of Cu, a cluster is allowed to grow within the hole rising four atomic layers above the surface. Its lateral extension remains confined to the area defined by the borders of the original defect. (C) 2004 Elsevier B.V. All rights reserved.