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Quantum Effects (quantum + effects)
Selected AbstractsHypernetted Chain Calculations for Two-Component PlasmasCONTRIBUTIONS TO PLASMA PHYSICS, Issue 4-5 2007V. Schwarz Abstract We have performed HNC calculations for dense beryllium plasma as studied experimentally using x-ray Thomson scattering, recently. We treated non-equilibrium situations with different electron and ion temperatures which are relevant in pump-probe experiments on ultra-short time scales. To consider quantum effects adequately, we used effective pair potentials to describe the interactions. Results are compared with classical as well as quantum corrected Debye model calculations. (© 2007 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) [source] Neutral Higgs boson pair production at Linear CollidersFORTSCHRITTE DER PHYSIK/PROGRESS OF PHYSICS, Issue 7-9 2010J. Solŕ Abstract We compute the one-loop production cross section for neutral Higgs boson pairs at linear colliders from a generic two-Higgs-doublet model (2HDM). We identify important quantum effects associated to the triple-Higgs boson self-interactions , a genuine feature of the 2HDM, which is impossible to achieve in the Minimal Supersymmetric Standard Model (MSSM). [source] Nonlocal quantum gravity and the size of the universeFORTSCHRITTE DER PHYSIK/PROGRESS OF PHYSICS, Issue 6-7 2004M. Reuter Motivated by the conjecture that the cosmological constant problem is solved by strong quantum effects in the infrared we use the exact flow equation of Quantum Einstein Gravity to determine the renormalization group behavior of a class of nonlocal effective actions. They consist of the Einstein-Hilbert term and a general nonlinear function Fk(V) of the Euclidean spacetime volume V. For the V + V ln V -invariant the renormalization group running enormously suppresses the value of the renormalized curvature which results from Planck-size parameters specified at the Planck scale. One obtains very large, i.e., almost flat universes without finetuning the cosmological constant. A critical infrared fixed point is found where gravity is scale invariant. [source] Macroscopic quantum behavior of superconducting quantum interference devicesFORTSCHRITTE DER PHYSIK/PROGRESS OF PHYSICS, Issue 4-5 2003M.G. CastellanoArticle first published online: 24 APR 200 Superconducting quantum interference devices (SQUIDs) are made by a superconducting loop interrupted by one or more Josephson junctions. They are described in terms of a macroscopic variable, the magnetic flux, which shows quantum effects such as tunnelling through a potential barrier. Besides making up the source of a quantum state, SQUIDs also provide the instruments necessary for its probing: as a fact, SQUID based magnetometers have a sensitivity approaching the quantum limit. In this paper I will review the working principle of these devices and illustrate the system of SQUIDs realized in my group to test the quantum behavior at a macroscopic level. [source] On circuit models for quantum-classical networks,INTERNATIONAL JOURNAL OF CIRCUIT THEORY AND APPLICATIONS, Issue 5-6 2007Árpád I. Csurgay Abstract Physics is not scale invariant, and today the scale of atoms and molecules challenges designers of machines in which quantum effects have dominant sway. What role could circuit theory play in designing machines described by quantum-classical models? Classical equivalent circuits do exist for systems composed of metal contacted and wired devices, such as resonant tunneling diodes, single electron transistors, metal,insulator,metal diodes, etc. circuits, but not for quantum-entangled networks, such as multi-quantum-state atoms. If devices were not contacted and wired by macroscopic metals, i.e. devices were classically field coupled, then generalized circuit models can be introduced. Case studies have been presented on the role of circuit models in quantum-classical systems. However, there are no ideal circuit elements capable of capturing the port properties of quantum-mechanical and/or quantum-optical subsystems and their coupling to classical waveguides or cavities. Copyright © 2007 John Wiley & Sons, Ltd. [source] Development of analytic energy gradient method in nuclear orbital plus molecular orbital theoryINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 14 2007Minoru Hoshino Abstract This study formulates the analytic energy gradients in the Hartree-Fock calculations of the NOMO theory, which simultaneously determines nuclear and electronic wave functions without the Born-Oppenheimer approximation. The formulations correspond to the translation- and rotation-contaminated (TRC), translation-free (TF), and translation- and rotation-free (TRF) treatments. The optimizations of the orbital centers for several diatomic molecules, which have been performed by using the analytic energy gradients, have given the averaged nuclear distances {R0} reflecting the quantum effects of nuclei and the anharmonicity of the potential energy surfaces. The numerical assessments have clarified that the effects of eliminating the translational and rotational contaminations, i.e., the TRF effects are important to improve the evaluations of {R0}, especially for the molecules including hydrogen atoms. © 2007 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 [source] Computation of STM images of carbon nanotubesINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 4-5 2003P. Lambin Abstract Scanning tunneling microscopy (STM) is the only probing technique that allows for the investigation of both the topography and the electronic structure of carbon nanosystems at a subnanometer resolution. The interpretation of the STM images of carbon nanostructures involves complications that are normally absent in the study of planar crystalline surfaces. The complications typically appear from a number of quantum effects responsible for distortions in the microscope image of a nano-object. Because of these difficulties, computer simulation plays an extremely important role in the analysis of experimental data. In the current article, we report on two theoretical approaches developed for aiding in the interpretation and understanding of the formation of the STM image of a nanotube: first, the quantum mechanical dynamics of a wave packet, which allows for the modeling of the flow of the tunneling current between a tip and a nanotube supported by a substrate; and, second, a tight-binding perturbation theory that allows for the explicit calculation of realistic STM images and scanning tunneling spectra of carbon nanostructures. An atlas of computed STM images is provided for a series of 27 single-wall nanotubes with diameter around 1.3 nm. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003 [source] An Analysis of Two Liquid-State Adaptive Feedback ExperimentsISRAEL JOURNAL OF CHEMISTRY, Issue 1 2007Paul Brumer Adaptive feedback experiments, which provide an engineering oriented approach to optimizing a desired target in a molecular process, have been extensively developed over the past decade. Efforts to extract the control mechanisms that underlie the observed control have, however, only recently begun in earnest. We describe the results of the analyses of two liquid state adaptive feedback experiments, showing that the resultant control takes little advantage of coherent quantum effects. [source] Epiphany in autobiography: The quantum changes of Dostoevsky and TolstoyJOURNAL OF CLINICAL PSYCHOLOGY, Issue 5 2004Martin BidneyArticle first published online: 3 MAR 200 The quantum changes of Dostoevsky and Tolstoy are clarified by the partly overlapping concept of a literary epiphany. The qualities of an epiphany,intensity, resonance, and mystery,are much like the vividness and surprise of a quantum change (which also is felt to be beneficent and permanent). Epiphanic intensity and mystery reinforce the quantum attributes of love and lasting transformation in Dostoevsky's sudden memory of the motherlike tenderness of the peasant Marey. Tolstoy underlines the quantum effects of the embracing light seen in A Confession, but this epiphany is more abstract and attenuated than Dostoevsky's Diary episode. Tolstoy's earlier memoir shows how the shock of identity questioning introduces a complicating factor: the trauma of remorse. Clinical implications of the two authors' quantum-change accounts are discussed. © 2004 Wiley Periodicals, Inc. J Clin Psychol/In Session. [source] Statistical thermodynamics of internal rotation in a hindering potential of mean force obtained from computer simulationsJOURNAL OF COMPUTATIONAL CHEMISTRY, Issue 10 2003Vladimir Hnizdo Abstract A method of statistical estimation is applied to the problem of one-dimensional internal rotation in a hindering potential of mean force. The hindering potential, which may have a completely general shape, is expanded in a Fourier series, the coefficients of which are estimated by fitting an appropriate statistical,mechanical distribution to the random variable of internal rotation angle. The function of reduced moment of inertia of an internal rotation is averaged over the thermodynamic ensemble of atomic configurations of the molecule obtained in stochastic simulations. When quantum effects are not important, an accurate estimate of the absolute internal rotation entropy of a molecule with a single rotatable bond is obtained. When there is more than one rotatable bond, the "marginal" statistical,mechanical properties corresponding to a given internal rotational degree of freedom are educed. The method is illustrated using Monte Carlo simulations of two public health relevant halocarbon molecules, each having a single internal-rotation degree of freedom, and a molecular dynamics simulation of an immunologically relevant polypeptide, in which several dihedral angles are analyzed. © 2003 Wiley Periodicals, Inc. J Comput Chem 24: 1172,1183, 2003 [source] Semiclassical expansion of quantum characteristics for many-body potential scattering problemANNALEN DER PHYSIK, Issue 9 2007M.I. Krivoruchenko Abstract In quantum mechanics, systems can be described in phase space in terms of the Wigner function and the star-product operation. Quantum characteristics, which appear in the Heisenberg picture as the Weyl's symbols of operators of canonical coordinates and momenta, can be used to solve the evolution equations for symbols of other operators acting in the Hilbert space. To any fixed order in the Planck's constant, many-body potential scattering problem simplifies to a statistical-mechanical problem of computing an ensemble of quantum characteristics and their derivatives with respect to the initial canonical coordinates and momenta. The reduction to a system of ordinary differential equations pertains rigorously at any fixed order in ,. We present semiclassical expansion of quantum characteristics for many-body scattering problem and provide tools for calculation of average values of time-dependent physical observables and cross sections. The method of quantum characteristics admits the consistent incorporation of specific quantum effects, such as non-locality and coherence in propagation of particles, into the semiclassical transport models. We formulate the principle of stationary action for quantum Hamilton's equations and give quantum-mechanical extensions of the Liouville theorem on conservation of the phase-space volume and the Poincaré theorem on conservation of 2p -forms. The lowest order quantum corrections to the Kepler periodic orbits are constructed. These corrections show the resonance behavior. [source] Novel properties of wave propagation in biaxially anisotropic left-handed materialsANNALEN DER PHYSIK, Issue 6 2004J.Q. Shen Abstract Some physically interesting properties and effects (including the quantum effects) of wave propagation in biaxially anisotropic left-handed materials are investigated in this paper: (i) we show that in the biaxially gyrotropic left-handed material, the left-right coupling of circularly polarized light arises due to the negative indices in permittivity and permeability tensors of gyrotropic media; (ii) it is well known that the geometric phases of photons inside a curved fiber in previous experiments often depend on the cone angles of solid angles subtended by a curve traced by the direction of wave vector of light, at the center of photon momentum space. Here, however, for the light propagating inside certain anisotropic left-handed media we will present a different geometric phase that is independent of the cone angles; (iii) the extra phases of electromagnetic wave resulting from the instantaneous helicity inversion at the interfaces between left- and right-handed (LRH) media is also studied in detail by using the Lewis-Riesenfeld invariant theory. Some interesting applications (e.g., controllable position-dependent frequency shift, detection of quantum-vacuum geometric phases and helicity reversals at the LRH interfaces etc.) of above effects and phenomena in left-handed media is briefly discussed. [source] Analysis of Classical and Quantum Paths for Deprotonation of Methylamine by Methylamine DehydrogenaseCHEMPHYSCHEM, Issue 12 2007Kara E. Ranaghan Abstract The hydrogen-transfer reaction catalysed by methylamine dehydrogenase (MADH) with methylamine (MA) as substrate is a good model system for studies of proton tunnelling in enzyme reactions,an area of great current interest,for which atomistic simulations will be vital. Here, we present a detailed analysis of the key deprotonation step of the MADH/MA reaction and compare the results with experimental observations. Moreover, we compare this reaction with the related aromatic amine dehydrogenase (AADH) reaction with tryptamine, recently studied by us, and identify possible causes for the differences observed in the measured kinetic isotope effects (KIEs) of the two systems. We have used combined quantum mechanics/molecular mechanics (QM/MM) techniques in molecular dynamics simulations and variational transition state theory with multidimensional tunnelling calculations averaged over an ensemble of paths. The results reveal important mechanistic complexity. We calculate activation barriers and KIEs for the two possible proton transfers identified,to either of the carboxylate oxygen atoms of the catalytic base (Asp428,),and analyse the contributions of quantum effects. The activation barriers and tunnelling contributions for the two possible proton transfers are similar and lead to a phenomenological activation free energy of 16.5±0.9 kcal,mol,1 for transfer to either oxygen (PM3-CHARMM calculations applying PM3-SRP specific reaction parameters), in good agreement with the experimental value of 14.4 kcal,mol,1. In contrast, for the AADH system, transfer to the equivalent OD1 was found to be preferred. The structures of the enzyme complexes during reaction are analysed in detail. The hydrogen bond of Thr474,(MADH)/Thr172,(AADH) to the catalytic carboxylate group and the nonconserved active site residue Tyr471,(MADH)/Phe169,(AADH) are identified as important factors in determining the preferred oxygen acceptor. The protein environment has a significant effect on the reaction energetics and hence on tunnelling contributions and KIEs. These environmental effects, and the related clearly different preferences for the two carboxylate oxygen atoms (with different KIEs) in MADH/MA and AADH/tryptamine, are possible causes of the differences observed in the KIEs between these two important enzyme reactions. [source] | |||||||||||||