934 resultados para Path integrals
Resumo:
We generalize the Faddeev-Jackiw canonical path integral quantization for the scenario of a Jacobian with J=1 to that for the general scenario of non-unit Jacobian, give the representation of the quantum transition amplitude with symplectic variables and obtain the generating functionals of the Green function and connected Green function. We deduce the unified expression of the symplectic field variable functions in terms of the Green function or the connected Green function with external sources. Furthermore, we generally get generating functionals of the general proper vertices of any n-points cases under the conditions of considering and not considering Grassmann variables, respectively; they are regular and are the simplest forms relative to the usual field theory.
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The production of C, N, O elements in a standard big bang nucleosynthesis scenario is investigated. Using the up-to-date data of nuclear reactions in BBN, in particular the Li-8 (n, gamma) Li-9 which has been measured in China Institute of Atomic Energy, a full nucleosynthesis network calculation of BBN is carried out. Our calculation results show that the abundance of C-12 is increased for an order of magnitude after addition of the reaction chain Li-8(n, gamma) Li-9(alpha, n) B-12(beta) C-12, which was neglected in previous studies. We find that this sequence provides the main channel to convert the light elements into C, N, O in standard BBN.
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A central challenge to the semiclassical description of quantum mechanics is the quantum phenomenon of "deep" tunneling. Here we show that real time classical trajectories suffice to account correctly even for deep quantum tunneling, using a recently formulated semiclassical initial value representation series of the quantum propagator and a prefactor free semiclassical propagator. Deep quantum tunneling is effected through what we term as coherent classical paths which are composed of one or more classical trajectories that lead from reactant to product but are discontinuous along the way. The end and initial phase space points of consecutive classical trajectories contributing to the coherent path are close to each other in the sense that the distance between them is weighted by a coherent state overlap matrix element. Results are presented for thermal and energy dependent tunneling through a symmetric Eckart barrier.
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Multiphoton ionization of NO via intermediate Rydberg states with ultra-short laser pulses is investigated with time-resolved photoelectron spectroscopy in combination with fermosecond pump-probe technology. The Rydberg states of NO, which are characterized by obvious ac-Stark shift in ultra-strong laser field, can be tuned in resonance to ionize NO molecule at one's will with identical laser pulses, i.e., one can 'select' resonance path to ionization. The results shown in this Letter demonstrate that the states holding notable dynamic Stark shift provide us another dimension to chemical control with strong laser field. (C) 2003 Elsevier Science B.V. All rights reserved.
Resumo:
The structure and frequencies of C12B24N24 have been calculated by means of an ab initio method. By comparing the average bond energies with C-60, the calculated results predict that the cage C12B24N24 is a stable molecule. The calculated results indicate that the cage molecule C12B24N24 has a relative large HOMO-LUMO energy gap and a low rigidity The structures and stability of six possible isomers of C2B4N4 are used to suggest a possible transformation path from the pentagon CB2N2 to the C12B24N24 materials. (C) 2001 John Wiley & Sons, Inc.
Resumo:
This article describes the design of a new type of long-path-length thin-layer cell (LPTLC), which is constructed by inserting two Teflon cell bodies into a standard cuvette. This cuvette holder enables the LPTLC to combine with photometric instrumentation conveniently. Gold, platinum, glassy carbon, and other materials can be used for the working electrode. Since no soluble adhesive material is used, the cell can meet various needs (in situ conventional and derivative W-vis, in situ circular dichroism, etc.) in both aqueous and nonaqueous systems.
Resumo:
The adsorption of cationic surfactant cetylpyridinium bromide (CPB) on a glassy carbon (GC) electrode surface has been studied by spectroelectrochemistry with a long optical path length thin-layer cell (LOPTLC) for the first time. A fine adsorption isotherm of CPB molecules from an aqueous solution containing 0.10 M KBr has been obtained over the range of (1.00-8.00) x 10(-5) M. From theoretical calculation and experimental data, adsorption of CPB on the GC electrode surface shows four distinct orientations and three large orientation transitions. Compared with the ordinary isotherm, the differential isotherm is more characteristic and would be suitable for the study of orientation transitions of organic compounds. With a theoretical treatment of the adsorption isotherm, four orientations of adsorbed CPB on a GC electrode surface coincide with the Frumkin-Langmuir type. From adsorption parameters the Frumkin-Langmuir equations, the adsorption free energy and, therefore, the equilibrium constants of orientation transitions of the CPB molecule can be obtained.
Resumo:
In this paper, the electric dichroism of cetylpyridinium bromide (CPB) has been found and studied by spectroelectrochemistry with a long optical path length thin-layer cell (LOPTLC) for the first time. The CPB molecule with a long carbon chain and a polar pyridinium ring is anisotropic in molecular configuration or in polarizability. In the electric field of a thin-layer cell, the CPB molecule reorientates along the direction of the electric field and exhibits electric dichroism, which results in the increase of absorbance of CPB in the UV-vis range. By use of in situ measurement of spectroelectrochemistry, the order parameters of long molecular axis (S = 0.845) and short molecular axis (D = 0.155) and the angle between the long axis direction of the CPB molecule and the direction normal to the electrode surface (theta = 18-degrees 44') have been determined. These data were used to describe the state of arrangement of the molecules in the solution. The reorientation of CPB molecules is the result of the interaction between the anisotropic molecules and electric field. The effects of the concentration of CPB and of the applied electric field on the electric dichroism have been investigated.
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Pd-supported on WO3-ZrO2 (W/Zr atomic ratio=0.2) calcined at 1073 K was found to be highly active and selective for gas-phase oxidation of ethylene to acetic acid in the presence of water at 423 K and 0.6 MPa. Contact time dependence demonstrated that acetic acid is formed via acetaldehyde formed by a Wacker-type reaction, not through ethanol by hydration of ethylene.
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Accurate measurement of network bandwidth is crucial for flexible Internet applications and protocols which actively manage and dynamically adapt to changing utilization of network resources. These applications must do so to perform tasks such as distributing and delivering high-bandwidth media, scheduling service requests and performing admission control. Extensive work has focused on two approaches to measuring bandwidth: measuring it hop-by-hop, and measuring it end-to-end along a path. Unfortunately, best-practice techniques for the former are inefficient and techniques for the latter are only able to observe bottlenecks visible at end-to-end scope. In this paper, we develop and simulate end-to-end probing methods which can measure bottleneck bandwidth along arbitrary, targeted subpaths of a path in the network, including subpaths shared by a set of flows. As another important contribution, we describe a number of practical applications which we foresee as standing to benefit from solutions to this problem, especially in emerging, flexible network architectures such as overlay networks, ad-hoc networks, peer-to-peer architectures and massively accessed content servers.
Resumo:
We study the problem of preprocessing a large graph so that point-to-point shortest-path queries can be answered very fast. Computing shortest paths is a well studied problem, but exact algorithms do not scale to huge graphs encountered on the web, social networks, and other applications. In this paper we focus on approximate methods for distance estimation, in particular using landmark-based distance indexing. This approach involves selecting a subset of nodes as landmarks and computing (offline) the distances from each node in the graph to those landmarks. At runtime, when the distance between a pair of nodes is needed, we can estimate it quickly by combining the precomputed distances of the two nodes to the landmarks. We prove that selecting the optimal set of landmarks is an NP-hard problem, and thus heuristic solutions need to be employed. Given a budget of memory for the index, which translates directly into a budget of landmarks, different landmark selection strategies can yield dramatically different results in terms of accuracy. A number of simple methods that scale well to large graphs are therefore developed and experimentally compared. The simplest methods choose central nodes of the graph, while the more elaborate ones select central nodes that are also far away from one another. The efficiency of the suggested techniques is tested experimentally using five different real world graphs with millions of edges; for a given accuracy, they require as much as 250 times less space than the current approach in the literature which considers selecting landmarks at random. Finally, we study applications of our method in two problems arising naturally in large-scale networks, namely, social search and community detection.
Resumo:
Ireland experienced two critical junctures when its economic survival was threatened: 1958/9 and 1986/7. Common to both crises was the supplanting of long established practices, that had become an integral part of the political culture of the state, by new ideas that ensured eventual economic recovery. In their adoption and implementation these ideas also fundamentally changed the institutions of state – how politics was done, how it was organised and regulated. The end result was the transformation of the Irish state. The main hypothesis of this thesis is that at those critical junctures the political and administrative elites who enabled economic recovery were not just making pragmatic decisions, their actions were influenced by ideas. Systematic content analysis of the published works of the main ideational actors, together with primary interviews with those actors still alive, reveals how their ideas were formed, what influenced them, and how they set about implementing their ideas. As the hypothesis assumes institutional change over time historical institutionalism serves as the theoretical framework. Central to this theory is the idea that choices made when a policy is being initiated or an institution formed will have a continuing influence long into the future. Institutions of state become ‘path dependent’ and impervious to change – the forces of inertia take over. That path dependency is broken at critical junctures. At those moments ideas play a major role as they offer a set of ready-made solutions. Historical institutionalism serves as a robust framework for proving that in the transformation of Ireland the role of ideas in punctuating institutional path dependency at critical junctures was central.