Corrections to the density-functional theory electronic spectrum: Copper phthalocyanine
DEFF Research Database (Denmark)
Vazquez, Hector; Jelinek, P.; Brandbyge, Mads
2009-01-01
A method for improving the electronic spectrum of standard Density-Functional Theory (DFT) calculations (i.e., LDA or GGA approximations) is presented, and its application is discussed for the case of the copper phthalocyanine (CuPc) molecule. The method is based on a treatment of exchange...... and correlation in a many-body Hamiltonian, and it leads to easy-to-evaluate corrections to the DFT eigenvalues. Self-interaction is largely corrected, so that the modified energy levels do not suffer from spurious crossings, as often encountered for CuPc in DFT, and they remedy the standard underestimation...... or semiempirical functionals for molecular levels, it can be easily applied to any local-orbital DFT approach, improving on several important limitations of standard DFT methods....
International Nuclear Information System (INIS)
Bhattacharyya, D.P.; Gautam, V.P.
1982-01-01
The integral electron photon spectra of cosmic rays at airplane altitude and Lenin Peak (altitudes 260 and 400 g-cm -2 air) have been estimated from the primary proton spectrum of Goddard Space Flight Group using Fermilab data of pp→π +- +X and conventional cascade theory. The derived electron-photon spectra fits well the experimental data of Ohta et al. (1975) and Cherdyntseva and Nikol'skii (1976) for energies above 4 TeV
Theory of coherent transition radiation generated by ellipsoidal electron bunches
Root, op 't W.P.E.M.; Smorenburg, P.W.; Oudheusden, van T.; Wiel, van der M.J.; Luiten, O.J.
2007-01-01
We present the theory of coherent transition radiation (CTR) generated by ellipsoidal electron bunches. We calculate analytical expressions for the electric field spectrum, the power spectrum, and the temporal electric field of CTR, generated by cylindrically symmetric ellipsoidal electron bunches
Quantum electronics basic theory
Fain, V M; Sanders, J H
1969-01-01
Quantum Electronics, Volume 1: Basic Theory is a condensed and generalized description of the many research and rapid progress done on the subject. It is translated from the Russian language. The volume describes the basic theory of quantum electronics, and shows how the concepts and equations followed in quantum electronics arise from the basic principles of theoretical physics. The book then briefly discusses the interaction of an electromagnetic field with matter. The text also covers the quantum theory of relaxation process when a quantum system approaches an equilibrium state, and explai
Fomin, V.M.; Gladilin, V.N.; Klimin, S.N.; Devreese, J.T.; Kleemans, N.A.J.M.; Koenraad, P.M.
2007-01-01
We analyze theoretically the electron energy spectrum and the magnetization of an electron in a strained Inx Ga1-x As GaAs self-assembled quantum ring (SAQR) with realistic parameters, determined from the cross-sectional scanning-tunneling microscopy characterization of that nanostructure. The SAQRs
Valence photoelectron spectrum of KBr: Effects of electron correlation
International Nuclear Information System (INIS)
Calo, A.; Huttula, M.; Patanen, M.; Aksela, H.; Aksela, S.
2008-01-01
The valence photoelectron spectrum has been measured for molecular KBr. Experimental energies of the main and satellite structures have been compared with the results of ab initio calculations based on molecular orbital theory including configuration and multiconfiguration interaction approaches. Comparison between the experimental KBr spectrum and previously reported Kr valence photoelectron spectrum has also been performed in order to find out if electron correlation is of the same importance in the valence ionized state of KBr as in the corresponding state of Kr
Testing Rastall's theory using matter power spectrum
International Nuclear Information System (INIS)
Batista, C.E.M.; Fabris, J.C.; Daouda, M.H.
2010-01-01
Rastall's theory is a modification of the General Relativity theory leading to a different expression for the conservation law in the matter sector compared with the usual one. It has been argued recently that such a theory may have applications to the dark energy problem, since a pressureless fluid may lead to an accelerated universe. In the present work we confront Rastall's theory with the power spectrum data. The results indicate a configuration that essentially reduces Rastall's theory to General Relativity, unless the non-usual conservation law refers to a scalar field, situation where other configurations are eventually possible.
Theory of optical spectra of solvated electrons
International Nuclear Information System (INIS)
Kestner, N.R.
1975-01-01
During the last few years better theoretical models of solvated electron have been developed. These models allow one to calculate a priori the observable properties of the trapped electron. One of the most important and most widely determined properties is the optical spectrum. In this paper we consider the predictions of the theories not only as to the band maximum but line shape and width. In addition we will review how the theories predict these will depend on the solvent, pressure, temperature, and solvent density. In all cases extensive comparisons will be made with experimental work. In addition four new areas will be explored and recent results will be presented. These concern electrons in dense polar gases, the time development of the solvated electron spectrum, solvated electrons in mixed solvents, and photoelectron emission spectra (PEE) as it relates to higher excited states. This paper will review all recent theoretical calculations and present a critical review of the present status and future developments which are anticipated. The best theories are quite successful in predicting trends, and qualitative agreement concerning band maximum. The theory is still weak in predicting line shape and line width
Energy Technology Data Exchange (ETDEWEB)
Dreicer, H [Los Alamos Scientific Laboratory, University of California, Los Alamos, NM (United States)
1958-07-01
This paper treats the problem of electrons moving through an infinite gas of positive ions under the influence of a static uniform electric field of arbitrary strength. In evaluating the electrical conductivity of such a gas the conventional treatment involves a perturbation solution of the time-independent Boltzmann equation, and results in the well-known (temperature){sup 3/2} law. Two assumptions are basic to these treatments: 1) that a steady state electron velocity distribution is attained several mean-free collision times after the electric field is applied, and 2) that the terminal electron drift velocity is small compared to the average random electron speed. Both assumptions are avoided in this paper. In the next section the problem is formulated starting with the Boltzmann equation and a review of approximate analytic solutions appropriate to the weak and strong electric field cases is presented. We then describe a time-dependent numerical solution to the Boltzmann equation and compare these results with the approximate solutions. All of these treatments lead to the conclusion that this problem does not admit a time-independent solution. Because of the strong energy dependence of the Rutherford scattering law, the electron drift velocity is not bounded by a terminal value, rather it grows monotonically with time. This is the so-called runaway effect predicted by Giovanelli. Collective effects, or plasma oscillations, are ignored in this work, although these undoubtedly play an important role in the conduction of electricity through the plasma.
Electronic spectrum of 9-methylanthracenium radical cation
Energy Technology Data Exchange (ETDEWEB)
O’Connor, Gerard D.; Schmidt, Timothy W., E-mail: timothy.schmidt@unsw.edu.au [School of Chemistry, UNSW Sydney, New South Wales 2052 (Australia); Sanelli, Julian A.; Dryza, Vik; Bieske, Evan J. [School of Chemistry, The University of Melbourne, Victoria 3010 (Australia)
2016-04-21
The predissociation spectrum of the cold, argon-tagged, 9-methylanthracenium radical cation is reported from 8000 cm{sup −1} to 44 500 cm{sup −1}. The reported spectrum contains bands corresponding to at least eight electronic transitions ranging from the near infrared to the ultraviolet. These electronic transitions are assigned through comparison with ab initio energies and intensities. The infrared D{sub 1}←D{sub 0} transitions exhibit significant vibronic activity, which is assigned through comparison with TD-B3LYP excited state frequencies and intensities, as well as modelled vibronic interactions. Dissociation of 9-methylanthracenium is also observed at high visible-photon energies, resulting in the loss of either CH{sub 2} or CH{sub 3}. The relevance of these spectra, and the spectra of other polycyclic aromatic hydrocarbon radical cations, to the largely unassigned diffuse interstellar bands, is discussed.
Statistical theory of electron densities
International Nuclear Information System (INIS)
Pratt, L.R.; Hoffman, G.G.; Harris, R.A.
1988-01-01
An optimized Thomas--Fermi theory is proposed which retains the simplicity of the original theory and is a suitable reference theory for Monte Carlo density functional treatments of condensed materials. The key ingredient of the optimized theory is a neighborhood sampled potential which contains effects of the inhomogeneities in the one-electron potential. In contrast to the traditional Thomas--Fermi approach, the optimized theory predicts a finite electron density in the vicinity of a nucleus. Consideration of the example of an ideal electron gas subject to a central Coulomb field indicates that implementation of the approach is straightforward. The optimized theory is found to fail completely when a classically forbidden region is approached. However, these circumstances are not of primary interest for calculations of interatomic forces. It is shown how the energy functional of the density may be constructed by integration of a generalized Hellmann--Feynman relation. This generalized Hellmann--Feynman relation proves to be equivalent to the variational principle of density functional quantum mechanics, and, therefore, the present density theory can be viewed as a variational consequence of the constructed energy functional
[Theory of mind in schizophrenia spectrum disorders].
Bora, Emre
2009-01-01
To review studies that investigated theory of mind (ToM) deficits in schizophrenia spectrum disorders. After a thorough literature search, 71 studies were included in this review. Data regarding the relationship between ToM, and other cognitive skills, symptoms, and the impact of the state of illness were reviewed. ToM instruments used in schizophrenia spectrum disorders have some major psychometric limitations; however, previous research was still able to provide some important findings regarding mentalizing impairments in schizophrenia. While ToM deficits are more pronounced in the acute phase of illness, it seems to persist during periods of remission. There is also evidence of ToM deficits in the healthy relatives of schizophrenics, patients with delusional disorder and bipolar disorder (BD), and individuals with high schizotypy scores. ToM dysfunction might be secondary to other cognitive deficits in patients with schizophrenia that have a good prognosis, asymptomatic schizophrenia, delusional disorder, and BD. Other cognitive deficits do not seem to explain ToM dysfunction in patients with psychosis and severe negative symptoms. These findings support the contribution of impairment in both domain-general and domain-specific mechanisms to ToM deficits in schizophrenia spectrum disorders. ToM deficits may be important for understanding poor social functioning and poor insight in psychotic disorders. While ToM is influenced by state variables, it might be an endophenotype of schizophrenia; however, ToM is likely to be an indicator of other frontal lobe-related endophenotypes. Longitudinal studies conducted with high-risk individuals are particularly important.
Electronics from theory into practice
Fisher, J E; Hammond, P
1976-01-01
Electronics - From Theory Into Practice deals with design procedures in electronics and bridges the gap between theoretical knowledge and practice. It provides design examples and discusses the use of the Laplace Transform for solving engineering problems. The book introduces bipolar and field effect transistor, the unijunction transistor and the silicon-controlled rectifier, and shows how data sheets are used in design calculations. It then examines the development of integrated circuits and their characteristics. Following this discussion are chapters that contain a brief treatment of theory
International Nuclear Information System (INIS)
Dattoli, G.; Torre, A.
1989-01-01
The essential features of the theory of the free electron laser (FEL) are given in some detail. Beginning with an explanation of the basic gain mechanism, the lectures continue with a discussion of the problems associated with single-passage and recirculated (storage-ring) operation. Pulse propagation effects and the so-called 'lethargic' behaviour are analysed more completely. Finally, elements of FEL quantum theory are reported, in order to clarify the laser process from the microscopic point of view. Appendices give a fuller treatment of optical cavities and undulator magnets. (orig.)
Summary on electron cyclotron theory
International Nuclear Information System (INIS)
Westerhof, E.
2003-01-01
The papers presented within the Theory Sessions of the conference clearly reflect the general trends of the research field. The growing use of Electron Bernstein Waves (EBW) for plasma heating and current drive in overdense plasmas goes hand in hand with an increased theoretical understanding of EBW excitation. While the expanding number of devices with powerful ECRH systems allowing ever more detailed experiments is reflected in the increased detail of modelling and consequent understanding of the experimental results. Apart from these general trends, some more fundamental contributions to the field of electron cyclotron wave propagation are highlighted. (author)
Electron beam spectrum monitor using synchrotron light
International Nuclear Information System (INIS)
Reagan, D.; Hostetler, T.E.
1979-03-01
This instrument shows the positions, widths, and shapes of momentum spectra of SLAC beams. It uses synchrotron light produced when the beam is deflected by a magnet. Some of the light is focused on the face of an image splitter consisting of acrylic light pipes. The light pipes illuminate twelve photomultiplier tubes. Pulses from the PM tubes are integrated, multiplexed, and displayed on an oscilloscope. The resolution of the instrument is usually better than 0.2%. It has some advantages over the secondary emitter foil spectrum monitors (SEM's) currently in use at SLAC. It need never be put out of service to avoid disturbing the beam. It is as sensitive as the most sensitive SLAC SEM. (Its performance has been optimized for high-current beams; it can easily be made much more sensitive.) It provides information on a pulse-to-pulse basis and, with better cables, could indicate electron beam pulse shapes
Neutrino spectrum from theory and experiments
Indian Academy of Sciences (India)
equation describes neutrino masses in these theories instead of eq. (1): .... universe. In comparison, the possibility (B) provides the dark matter in the universe easily. 122 ..... the origin of the small neutrino mass compared to other fermions.
Electronic structure theory of the superheavy elements
Energy Technology Data Exchange (ETDEWEB)
Eliav, Ephraim, E-mail: ephraim@tau.ac.il [School of Chemistry, Tel Aviv University, 6997801 Tel Aviv (Israel); Fritzsche, Stephan, E-mail: s.fritzsche@gsi.de [Helmholtz-Institut Jena, Fröbelstieg 3, D-07743 Jena (Germany); Theoretisch-Physikalisches Institut, Friedrich-Schiller-Universität Jena, D-07743 Jena (Germany); Kaldor, Uzi, E-mail: kaldor@tau.ac.il [School of Chemistry, Tel Aviv University, 6997801 Tel Aviv (Israel)
2015-12-15
High-accuracy calculations of atomic properties of the superheavy elements (SHE) up to element 122 are reviewed. The properties discussed include ionization potentials, electron affinities and excitation energies, which are associated with the spectroscopic and chemical behavior of these elements, and are therefore of considerable interest. Accurate predictions of these quantities require high-order inclusion of relativity and electron correlation, as well as large, converged basis sets. The Dirac–Coulomb–Breit Hamiltonian, which includes all terms up to second order in the fine-structure constant α, serves as the framework for the treatment; higher-order Lamb shift terms are considered in some selected cases. Electron correlation is treated by either the multiconfiguration self-consistent-field approach or by Fock-space coupled cluster theory. The latter is enhanced by the intermediate Hamiltonian scheme, allowing the use of larger model (P) spaces. The quality of the calculations is assessed by applying the same methods to lighter homologs of the SHEs and comparing with available experimental information. Very good agreement is obtained, within a few hundredths of an eV, and similar accuracy is expected for the SHEs. Many of the properties predicted for the SHEs differ significantly from what may be expected by straightforward extrapolation of lighter homologs, demonstrating that the structure and chemistry of SHEs are strongly affected by relativity. The major scientific challenge of the calculations is to find the electronic structure and basic atomic properties of the SHE and assign its proper place in the periodic table. Significant recent developments include joint experimental–computational studies of the excitation spectrum of Fm and the ionization energy of Lr, with excellent agreement of experiment and theory, auguring well for the future of research in the field.
Measuring Theory of Mind in Adults with Autism Spectrum Disorder
Brewer, Neil; Young, Robyn L.; Barnett, Emily
2017-01-01
Deficits in Theory of Mind (ToM)--the ability to interpret others' beliefs, intentions and emotions--undermine the ability of individuals with Autism Spectrum Disorder (ASD) to interact in socially normative ways. This study provides psychometric data for the Adult-Theory of Mind (A-ToM) measure using video-scenarios based in part on Happé's…
Electron bremsstrahlung spectrum, 1--500 keV
International Nuclear Information System (INIS)
Lee, C.M.; Kissel, L.; Pratt, R.H.; Tseng, H.K.
1976-01-01
Numerical data are obtained for the electron bremsstrahlung energy spectrum resulting from incident electrons of kinetic energy 1--500 keV, under the assumption that the process is described as a single-electron transition in a relativistic self-consistent screened potential, using partial-wave expansions. Comparisons with simpler analytical approximations show that these are at best of qualitative validity in this energy range. Our data are used to construct more complete tables of the spectrum by interpolation
Formation of a superhigh energy electron spectrum in the Galaxy
International Nuclear Information System (INIS)
Agaronyan, F.A.; Ambartsumyan, A.S.
1985-01-01
The formation of superhigh energy electron spectrum in the disk of the galaxy and halo is considered. A different behaviour of the electron spectrum within the framework of capture models in disk or halo, in the energy region E> or approximately 10 5 GeV is revealed due to the account of relativistic corrections ir the energy losses of electrons during the inverse Compton scattering. A comparison with the existing experimental data is carried out
Electron energy spectrum in core-shell elliptic quantum wire
Directory of Open Access Journals (Sweden)
V.Holovatsky
2007-01-01
Full Text Available The electron energy spectrum in core-shell elliptic quantum wire and elliptic semiconductor nanotubes are investigated within the effective mass approximation. The solution of Schrodinger equation based on the Mathieu functions is obtained in elliptic coordinates. The dependencies of the electron size quantization spectrum on the size and shape of the core-shell nanowire and nanotube are calculated. It is shown that the ellipticity of a quantum wire leads to break of degeneration of quasiparticle energy spectrum. The dependences of the energy of odd and even electron states on the ratio between semiaxes are of a nonmonotonous character. The anticrosing effects are observed at the dependencies of electron energy spectrum on the transversal size of the core-shell nanowire.
Hadron mass spectrum in a lattice gauge theory
International Nuclear Information System (INIS)
Seo, Koichi
1978-01-01
We perform the strong coupling expansion in a lattice gauge theory and obtain the hadron mass spectrum. We develop a theory in the Hamiltonian formalism following Kogut and Susskind, but our treatment of quark fields is quite different from theirs. Thus our results largely differ from theirs. In our model and approximation, the pseudoscalar mesons have the same mass as the vectors. The baryon decuplet and the octet are also degenerate. The excited meson states are studied in detail. (auth.)
Reasoning on the Autism Spectrum: A Dual Process Theory Account
Brosnan, Mark; Lewton, Marcus; Ashwin, Chris
2016-01-01
Dual process theory proposes two distinct reasoning processes in humans, an intuitive style that is rapid and automatic and a deliberative style that is more effortful. However, no study to date has specifically examined these reasoning styles in relation to the autism spectrum. The present studies investigated deliberative and intuitive reasoning…
Theory of Mind Abilities and Deficits in Autism Spectrum Disorders
Kimhi, Yael
2014-01-01
Autism spectrum disorder (ASD) is a neurobiological disorder that significantly impairs children's social interaction, verbal and nonverbal communication, and behaviors. Questions about theory of mind (ToM) deficits in ASD have generated a large number of empirical studies. This article reviews current studies of the relationship between ToM and…
The mass spectrum and coupling in affine Toda theories
International Nuclear Information System (INIS)
Fring, A.; Liao, H.C.; Olive, D.I.
1991-01-01
We provide a unified derivation of the mass spectrum and the three point coupling of the classical affine Toda field theories, using general Lie algebraic techniques. The masses are proportional to the components of the right Perron-Frobenius vector and the three point coupling is proportional to the area of the triangle formed by the masses of the fusing particles. (orig.)
One-electron spectrum of Xe VIII
International Nuclear Information System (INIS)
Roberts, J.R.; Knystautas, E.J.; Sugar, J.
1979-01-01
The spectrum of Xe VIII has been observed in a theta-pinch discharge. New line identifications were made that determine the energies of the 6s, 7s, 6p, and 5f terms relative to the 5s 2 S ground state and confirm the previously known 5p and 5d terms. An independent system of levels derived from the observed 4f-ng (n = 5,6) transitions was found. Its position relative to the ground state is obtained from a predicted value for the 5g effective quantum number n*. From the ns series (n=5--7) a value for the ionization enegy of 105.91 +- 0.05 eV was derived
Spectrum properties of electrons in solids
International Nuclear Information System (INIS)
Avron, J.
1975-11-01
The electron spectra in the one-particle Bloch model is discussed. The presence of hamiltonian bands is proved, especially for the Dirac and Schrodinger hamiltonians. The analyticity of the quasimomentum k is described as well as the stability of the bands in singular disturbances. (B.G.)
The spectrum of the conserved charges in affine Toda theories
International Nuclear Information System (INIS)
Niedermaier, M.R.
1992-07-01
A vertex operator construction for the phase of the minimal form factor is used to predict the exact spectrum of the infinite set of conserved charges on the multi-particle states in affine Toda theories from the bootstrap S-matrix. Conversely, the scattering phase can be recovered from the spectral information. The result is checed against the classical spectrum which is calculated ab-initio using the τ-function formalism. The latter is shown to provide a considerable shortcut compared to the traditional use of the inverse scattering transform. (orig.)
The Lorentz Theory of Electrons and Einstein's Theory of Relativity
Goldberg, Stanley
1969-01-01
Traces the development of Lorentz's theory of electrons as applied to the problem of the electrodynamics of moving bodies. Presents evidence that the principle of relativity did not play an important role in Lorentz's theory, and that though Lorentz eventually acknowledged Einstein's work, he was unwilling to completely embrace the Einstein…
International Nuclear Information System (INIS)
Daineko, E.A.; Dihanbayev, K.K.; Akhtar, P.; Hussain, A.
2007-01-01
In this article we study the influence of 2-Mev electron irradiation on porous silicon (PS). Photoluminescence (PL) spectrum and IR-spectrum have been done on both newly-prepared PS samples and samples prepared a year ago after the irradiation. We analyzed PL spectrum for both types of PS samples. The experimental results suggest that the peak position in PL spectrum decreases for newly-prepared PS samples. The size of the nanocrystals calculated by the method of singling out of spectrum components was equal to 3.0-3.2 nm. Porosity of the samples was 60-75%. From IR-spectrum of newly-prepared PS samples wide absorption band was observed at 1100 cm/sup -1/ (Si-O-Si bond). Another peak of Si-O-Si group was observed at 850 cm/sub -1/. Also hydrogen absorption bands were appearing from 2000 to 2200 cm/sup -1/, corresponding to vibration modes SiH, SiH/sub 2/, SiH/sub 3/. As a result of electron irradiation the PL intensity of newly-prepared PS samples decreases abruptly by a factor of 30 without peak shifting. As for the samples prepared a year ago we observed a decrease in the PL intensity by 25-30%. From IR-spectrum of PS samples prepared a year ago it was shown that the intensity of bridge bonds corresponding to absorption band 850 cm/sup -1/, decreases gradually. Our experimental data shows that PS samples stored for longer time have better radiation resistant properties than the newly-prepared PS samples due to the replacement of Si-H bonds with more resistant Si-O bonds. Porous silicon, electrochemical anodizing, photoluminescence spectrum, IR-spectrum, electronic irradiation. (author)
Universality in chaos: Lyapunov spectrum and random matrix theory
Hanada, Masanori; Shimada, Hidehiko; Tezuka, Masaki
2018-02-01
We propose the existence of a new universality in classical chaotic systems when the number of degrees of freedom is large: the statistical property of the Lyapunov spectrum is described by random matrix theory. We demonstrate it by studying the finite-time Lyapunov exponents of the matrix model of a stringy black hole and the mass-deformed models. The massless limit, which has a dual string theory interpretation, is special in that the universal behavior can be seen already at t =0 , while in other cases it sets in at late time. The same pattern is demonstrated also in the product of random matrices.
Universality in chaos: Lyapunov spectrum and random matrix theory.
Hanada, Masanori; Shimada, Hidehiko; Tezuka, Masaki
2018-02-01
We propose the existence of a new universality in classical chaotic systems when the number of degrees of freedom is large: the statistical property of the Lyapunov spectrum is described by random matrix theory. We demonstrate it by studying the finite-time Lyapunov exponents of the matrix model of a stringy black hole and the mass-deformed models. The massless limit, which has a dual string theory interpretation, is special in that the universal behavior can be seen already at t=0, while in other cases it sets in at late time. The same pattern is demonstrated also in the product of random matrices.
Theories of the solvated electron
International Nuclear Information System (INIS)
Kestner, N.R.
1987-01-01
In this chapter the authors address only the final state of the electron, that is, the solvated state, which, if no chemical reaction would occur, is a stable entity with well-defined characteristics. Except for some metal-ammonia solutions, and possible a few other cases, such stable species, in reality, exist but a short time (often as short as microseconds). Nevertheless, this chapter only deals with this final time-independent,'' completely solvated,'' equilibrium species. The last statement is added to indicate that the solvent around the electron has also come to thermal equilibrium with the field of the charge
Electronic Commerce: Theory and Practice
Išoraitė, Margarita; Miniotienė, Neringa
2018-01-01
Electronic commerce in the world is becoming an increasingly popular form of trade. Most shoppers start looking for products, descriptions and quality features online before buying a product. In order to provide customers with more convenience, more and more companies and existing stores are setting up their own online stores where a person can buy at a convenient time, even at night when regular stores are no longer working. Online stores allow you to save time spent by a person searching fo...
Calculating the electron temperature in the lightning channel by continuous spectrum
Xiangcheng, DONG; Jianhong, CHEN; Xiufang, WEI; Ping, YUAN
2017-12-01
Based on the theory of plasma continuous radiation, the relationship between the emission intensity of bremsstrahlung and recombination radiation and the plasma electron temperature is obtained. During the development process of a return stroke of ground flash, the intensity of continuous radiation spectrum is separated on the basis of the spectrums with obviously different luminous intensity at two moments. The electron temperature of the lightning discharge channel is obtained through the curve fitting of the continuous spectrum intensity. It is found that electron temperature increases with the increase of wavelength and begins to reduce after the peak. The peak temperature of the two spectra is close to 25 000 K. To be compared with the result of discrete spectrum, the electron temperature is fitted by the O I line and N II line of the spectrum respectively. The comparison shows that the high temperature value is in good agreement with the temperature of the lightning core current channel obtained from the ion line information, and the low temperature at the high band closes to the calculation result of the atomic line, at a low band is lower than the calculation of the atomic line, which reflects the temperature of the luminous channel of the outer corona.
Full spectrum of Lyapunov exponents in gauge field theories
International Nuclear Information System (INIS)
Biro, T.S.; Markum, H.; Pullirsch, R.
2003-01-01
Full text: Results are presented for the full spectrum of Lyapunov exponents of the compact U(1) gauge system in classical field theory. Instead of the determination of the largest Lyapunov exponent by the rescaling method we now use the monodromy matrix approach. The Lyapunov spectrum L i is expressed in terms of the eigenvalues Λ i of the monodromy matrix M. In the confinement phase the eigenvalues lie on either the real or on the imaginary axes. This is a nice illustration of a strange attractor of a chaotic system. Positive Lyapunov exponents eject the trajectories from oscillating orbits provided by the imaginary eigenvalues. Negative Lyapunov exponents attract the trajectories keeping them confined in the basin. Latest studies concern the time (in)dependence of the monodromy matrix. Further, we show that monopoles are created and annihilated in pairs as a function of real time in access to a fixed average monopole number. (author)
On non-relativistic electron theory
Energy Technology Data Exchange (ETDEWEB)
Woolley, R G
1975-01-01
A discussion of non-relativistic electron theory, which makes use of the electromagnetic field potentials only as useful working variables in the intermediate stages, is presented. The separation of the (transverse) radiation field from the longitudinal electric field due to the sources is automatic, and as a result, this formalism is often more convenient than the usual Coulomb gauge theory used in molecular physics.
Electron-electron scattering in the Weinberg-Salam theory
International Nuclear Information System (INIS)
Hirashima, Hideharu
1988-01-01
The Weinberg theory is generally believed to have been established in recent years. At distances smaller than 10 -16 cm, the strength of weak interactions becomes almost equal to that of the electromagnetic interactions. The grand unified theories proposed so far are based on the idea that the coupling constants for the Abelian U(1) field, the non-Abelian SU(2) field and the non-Abelian SU(3) color field depend on momentum transfer, or distance. At distances smaller than 10 -29 cm, weak electromagnetic and strong interactions are assumed to become almost the same strength. The question here is whether nature has no new features in the vast range from 10 -16 cm (10 2 GeV) to 10 -29 cm (10 15 GeV) and whether the substructure of quark or lepton can be expected to be revealed at the next accelerator energy region. The Weinberger-Salam theory may lose its validity even in near future experiments. In any case, it must be overhauled from various aspects. From this point of view, by using the Weinberger-Salam theory, calculation of the differential cross section for elastic electron-electron scattering is re-examined to make clear the difference with the results of QED. In addition, as an example of experiments which could investigate the Weinberger-Salam theory more in detail, a short account is given of the elastic scattering of polarized electrons from a polarized electron target. (Nogami, K.)
International Nuclear Information System (INIS)
Skriver, H.L.
1984-12-01
The work described in the report and the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from self-consistent electronic-structure calculations performed by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth metals, and the localization of 3d, 4f, and 5f electrons in the 3d metal monoxides, the light lanthanides, and the actinides, respectively, as well as the cohesive properties of metals in general. (orig.)
Theory of the Electron Sheath and Presheath
Scheiner, Brett; Baalrud, Scott; Yee, Benjamin; Hopkins, Matthew; Barnat, Edward
2015-09-01
Electron sheaths are commonly found near Langmuir probes collecting the electron saturation current. The common assumption is that the probe collects the random flux of electrons incident on the sheath, which tacitly implies that there is no electron presheath and that the flux collected is due to a velocity space truncation of the velocity distribution function (VDF). This work provides a dedicated theory of electron sheaths, which suggests that electron sheaths are not so simple. Motivated by VDFs observed in recent Particle-In-Cell (PIC) simulations, we develop a 1D model for the electron sheath and presheath. In the model, under low temperature plasma conditions, an electron pressure gradient accelerates electrons in the presheath to a flow velocity that exceeds the electron thermal speed at the sheath edge. This pressure gradient allows the generation of large flows compared to those that would be generated by the electric field alone. It is due to this pressure gradient that the electron presheath extends much further into the plasma (nominally by a factor of √{mi /me }) than an analogous ion presheath. Results of the model are compared with PIC simulations. This work was supported by the Office of Fusion Energy Science at the U.S. Department of Energy under contract DE-AC04-94SL85000 and by the Office of Science Graduate Student Research (SCGSR) program under Contract Number DE-AC05-06OR23100.
Kinetic theory of free electron lasers
Energy Technology Data Exchange (ETDEWEB)
Hafizi, B. [Naval Research Lab., Washington, DC (United States); Roberson, C.W. [Office of Naval Research, Arlington, VA (United States)
1995-12-31
We have developed a relativistic kinetic theory of free electron lasers (FELs). The growth rate, efficiency, filling factor and radius of curvature of the radiation wave fronts are determined. We have used the theory to examine the effects of beam compression on growth rate. The theory has been extended to include self field effects on FEL operation. These effects are particularly important in compact, low voltage FELs. The surprising result is that the self field contribution to the beam quality is opposite to the emittance contribution. Hence self fields can improve beam quality, particularly in compact, low voltage FELs.
Plasmon sidebands in the gain spectrum of an electron-hole plasma
International Nuclear Information System (INIS)
Hoang Ngoc Cam; Nguyen Van Hieu; Nguyen Ai Viet.
1987-06-01
The theory is represented for the recombination of the electron-hole pair into the photon with and without the emission of the plasmon-phonon coupled modes. In calculating the energies of the plasmon and the plasmon-phonon coupled modes as well as the vertices of their effective interactions the quantum field theory method has been applied. The theoretical prediction agrees well with the experimental result in the main part EHP 0 and the first sideband EHP - of the gain spectrum. (author). 6 refs, 9 figs
Paramagnetic form factors from itinerant electron theory
International Nuclear Information System (INIS)
Cooke, J.F.; Liu, S.H.; Liu, A.J.
1985-01-01
Elastic neutron scattering experiments performed over the past two decades have provided accurate information about the magnetic form factors of paramagnetic transition metals. These measurements have traditionally been analyzed in terms of an atomic-like theory. There are, however, some cases where this procedure does not work, and there remains the overall conceptual problem of using an atomistic theory for systems where the unpaired-spin electrons are itinerant. We have recently developed computer codes for efficiently evaluating the induced magnetic form factors of fcc and bcc itinerant electron paramagnets. Results for the orbital and spin contributions have been obtained for Cr, Nb, V, Mo, Pd, and Rh based on local density bands. By using calculated spin enhancement parameters, we find reasonable agreement between theory and neutron form factor data. In addition, these zero parameter calculations yield predictions for the bulk susceptibility on an absolute scale which are in reasonable agreement with experiment in all treated cases except palladium
Theory of temperature dependent photoemission spectrum of heavy fermion semiconductors
International Nuclear Information System (INIS)
Riseborough, P.S.
1998-01-01
The heavy fermion semiconductors are a class of strongly correlated materials, that at high temperatures show properties similar to those of heavy fermion materials, but at low temperatures show a cross-over into a semi-conducting state. The low temperature insulating state is characterized by an anomalously small energy gap, varying between 10 and 100 K. The smallness of the gap is attributed to the result of a many-body renormalization, and is temperature dependent. The temperature dependence of the electronic spectral density of states is calculated, using the Anderson lattice model at half filling. The spectrum is calculated to second order in 1/N, where N is the degeneracy of the 'f' orbitals, using a slave boson technique. The system is an indirect gap semi-conductor, with an extremely temperature dependent electronic spectral density A(k, ω). The indirect gap is subject to a temperature dependent many-body renormalization, and leads to a sharp temperature dependent structure in the angle resolved photo-emission spectrum at the indirect threshold. The theoretical predictions are compared with experimental observations on FeSi. (Copyright (1998) World Scientific Publishing Co. Pte. Ltd)
Relativistic theory of electron-impact ionization
International Nuclear Information System (INIS)
Rosenberg, Leonard
2010-01-01
A relativistic version of an earlier, non-relativistic, formulation of the theory of ionization of an atomic system by electron impact is presented. With a time-independent resolvent operator taken as the basis for the dynamics, a wave equation is derived for a system with open channels consisting of two positive-energy electrons in an external field generated by the residual ion. Virtual intermediate states can be accounted for by the effective Hamiltonian that appears in the wave equation and which in principle may be constructed perturbatively. The asymptotic form of the wavefunction, modified by the effects of the long-range Coulomb interactions of the two electrons in the external field, is derived. These electrons are constrained, by projection operators which appear naturally in the theory, to propagate in positive-energy states only. The long-range Coulomb effects take the form of phase factors similar to those that are found in the non-relativistic version of the theory. With the boundary conditions established, an integral identity for the ionization amplitude is derived, and used to set up a distorted-wave Born expansion for the transition amplitude involving Coulomb-modified propagating waves.
Analog Electronic Filters Theory, Design and Synthesis
Dimopoulos, Hercules G
2012-01-01
Filters are essential subsystems in a huge variety of electronic systems. Filter applications are innumerable; they are used for noise reduction, demodulation, signal detection, multiplexing, sampling, sound and speech processing, transmission line equalization and image processing, to name just a few. In practice, no electronic system can exist without filters. They can be found in everything from power supplies to mobile phones and hard disk drives and from loudspeakers and MP3 players to home cinema systems and broadband Internet connections. This textbook introduces basic concepts and methods and the associated mathematical and computational tools employed in electronic filter theory, synthesis and design. This book can be used as an integral part of undergraduate courses on analog electronic filters. Includes numerous, solved examples, applied examples and exercises for each chapter. Includes detailed coverage of active and passive filters in an independent but correlated manner. Emphasizes real filter...
Spin fluctuation theory of itinerant electron magnetism
Takahashi, Yoshinori
2013-01-01
This volume shows how collective magnetic excitations determine most of the magnetic properties of itinerant electron magnets. Previous theories were mainly restricted to the Curie-Weiss law temperature dependence of magnetic susceptibilities. Based on the spin amplitude conservation idea including the zero-point fluctuation amplitude, this book shows that the entire temperature and magnetic field dependence of magnetization curves, even in the ground state, is determined by the effect of spin fluctuations. It also shows that the theoretical consequences are largely in agreement with many experimental observations. The readers will therefore gain a new comprehensive perspective of their unified understanding of itinerant electron magnetism.
Development of the doppler electron velocimeter: theory.
Energy Technology Data Exchange (ETDEWEB)
Reu, Phillip L.
2007-03-01
Measurement of dynamic events at the nano-scale is currently impossible. This paper presents the theoretical underpinnings of a method for making these measurements using electron microscopes. Building on the work of Moellenstedt and Lichte who demonstrated Doppler shifting of an electron beam with a moving electron mirror, further work is proposed to perfect and utilize this concept in dynamic measurements. Specifically, using the concept of ''fringe-counting'' with the current principles of transmission electron holography, an extension of these methods to dynamic measurements is proposed. A presentation of the theory of Doppler electron wave shifting is given, starting from the development of the de Broglie wave, up through the equations describing interference effects and Doppler shifting in electron waves. A mathematical demonstration that Doppler shifting is identical to the conceptually easier to understand idea of counting moving fringes is given by analogy to optical interferometry. Finally, potential developmental experiments and uses of a Doppler electron microscope are discussed.
Projected quasiparticle theory for molecular electronic structure
Scuseria, Gustavo E.; Jiménez-Hoyos, Carlos A.; Henderson, Thomas M.; Samanta, Kousik; Ellis, Jason K.
2011-09-01
We derive and implement symmetry-projected Hartree-Fock-Bogoliubov (HFB) equations and apply them to the molecular electronic structure problem. All symmetries (particle number, spin, spatial, and complex conjugation) are deliberately broken and restored in a self-consistent variation-after-projection approach. We show that the resulting method yields a comprehensive black-box treatment of static correlations with effective one-electron (mean-field) computational cost. The ensuing wave function is of multireference character and permeates the entire Hilbert space of the problem. The energy expression is different from regular HFB theory but remains a functional of an independent quasiparticle density matrix. All reduced density matrices are expressible as an integration of transition density matrices over a gauge grid. We present several proof-of-principle examples demonstrating the compelling power of projected quasiparticle theory for quantum chemistry.
Interacting electrons theory and computational approaches
Martin, Richard M; Ceperley, David M
2016-01-01
Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.
On the spectrum of the secondary auroral electrons
International Nuclear Information System (INIS)
Fung, S.F.; Hoffman, R.A.
1988-01-01
We present the results from a statistical study of the spectral characteristics of the (power law portion) secondary electrons associated with inverted-V electron precipitation events. A total of 106 inverted-V events observed at low altitudes ( - /sup γ/ with an averaged γ = 1.85. This spectral parameter is relatively insensitive to the variation of locations of the inverted-V events, but it depends on the primary beam parameters. We compare our results with the predictions and assess the applicabilities of the current theories on the generation of the low-energy auroral power law secondary electrons. Our analysis shows that collisional processes are the dominant source of the secondary electrons. copyright American Geophysical Union 1988
Wang, Hongyue; Lhuillier, Emmanuel; Yu, Qian; Mottaghizadeh, Alireza; Ulysse, Christian; Zimmers, Alexandre; Dubertret, Benoit; Aubin, Herve
2015-03-01
We present a tunnel spectroscopy study of the electronic spectrum of single PbS Quantum Dots (QDs) trapped between nanometer-spaced electrodes, measured at low temperature T=5 K. The carrier filling of the QD can be controlled either by the drain voltage in the shell filling regime or by a gate voltage. In the empty QD, the tunnel spectrum presents the expected signature of the 8x degenerated excited levels. In the drain controlled shell filling regime, the levels degeneracies are lifted by the global electrostatic Coulomb energy of the QD; in the gate controlled shell filling regime, the levels degeneracies are lifted by the intra-Coulomb interactions. In the charged quantum dot, electron-phonons interactions lead to the apparition of Franck-Condon side bands on the single excited levels and possibly Franck Condon blockade at low energy. The sharpening of excited levels at higher gate voltage suggests that the magnitude of electron-phonon interactions is decreased upon increasing the electron filling in the quantum dot. This work was supported by the French ANR Grants 10-BLAN-0409-01, 09-BLAN-0388-01, by the Region Ile-de-France in the framework of DIM Nano-K and by China Scholarship Council.
Postmodern theories about readers in electronic environment
Directory of Open Access Journals (Sweden)
Ivanka Kuić
2015-03-01
Full Text Available Introductory part of the paper discusses theories about readers in the last decades of the 20th century. In particular, two big theoretical schools are discussed: aesthetic reception theory and reader-response-criticism movement. Readers are a subject of very different scientific disciplines: literature theory, sociology, anthropology, book history and library science. The idea that a reader is an essential subject for future life of a literary work is common to all theorists. By constructing the theory about a reader, theorists have thought about the reader who uses the conventions of printed text. The issue whether these concepts correspond to electronic surroundings is discussed. Characteristics of the hypertext are emphasized as a new paradigm, and also the issue weather readers enjoys in hypertextual fiction. In conclusion, paper expands the virtual dimension of Isers's theory about interaction between the text and the reader, and also Fish's concept of “interpretative community” which may be constituted on the Internet as a flexible virtual community.
f-electron systems: pushing band theory
International Nuclear Information System (INIS)
Koelling, D.D.
1991-01-01
The f-electron orbitrals have always been the ''incomplete atomic shells acting as local moments, and weakly interacting with the remaining electronic structure'' in the minds of most people. So examining them using a band theory where one views them as itinerant was once - and to some extent even today still is - considered with some skepticism. Nonetheless, a very significant community has successfully utilized band theory as a probe of the electronic structure of the appropriate actinides and rare earths. Those people actually using the approach would be the first to declare that it is not the whole solution. Instead, one is pushing and even exceeding its limit of applicability. However, the apropriate procedure is to push the model consistently to its limits, patch where possible, and then look to see where discrepancies remain. I propose to offer a selected review of past developments (emphasizing the career to data of A.J. Freeman in this area), offer a list of interesting puzzles for the future, and then make some guesses as to the techniques one might want to use. (orig.)
Theory of electron spin echoes in solids
Asadullina, N Y; Asadullin, Y Y
2002-01-01
We propose modified Bloch equations (MBEs) with specific power-dependent relaxation and dispersion parameters characteristic for two-pulse excitation and when the magnetic dipole-dipole interactions in the electron spin system control the dephasing. We discriminate between the 'active' (excited by both pulses) and 'passive' (excited by the second pulse only) spins: it is shown that the 'active' spins participate in a new effect, an active spin frequency modulation effect giving rise to the power-dependent dispersion and multiple electron spin echoes (ESEs); the 'passive' spins contribute to the power-dependent relaxation. The MBEs are solved and a general expression for the two-pulse ESEs is obtained. Detailed numerical analysis of this expression gives results in good quantitative agreement with the recent experiments on the two-pulse ESEs at conventional low applied fields. The developed theory is applied also to high field ESEs, which are promising for future investigations. On the basis of published resul...
Matthews, Nicole L.; Goldberg, Wendy A.
2018-01-01
The two prior studies that have examined associations between the sibling constellation and theory of mind in autism spectrum disorder yielded discrepant findings. Thus, efforts to better understand the sibling-theory of mind link in autism spectrum disorder are necessary. This study examined a sample of prekindergarten- and kindergarten-aged…
Electron collisions—experiment, theory, and applications
Bartschat, Klaus
2018-07-01
Electron collisions with atoms, ions, and molecules have represented an important area of ‘applied quantum mechanics’ for more than a century. This Topical Review is the write-up of the Allis Prize Lecture given by the author at the 2016 meeting of the Division of Atomic, Molecular, and Optical Physics of the American Physical Society and the 2017 Gaseous Electronics Conference. In light of the enormous size of the field, the examples presented were selected in order to tell the story of how experimental and theoretical/numerical methods have developed over time, how fruitful collaborations between data producers (experimentalists and theorists) and data users have led to significant progress, and how the results of these studies, which were often designed for fundamental research in order to push both experiment and theory to new frontiers, continue to be highly sought after for modeling applications in a variety of fields. The impact of electron collision studies on other fields, such as photoinduced processes and quantum information, is also discussed.
Liang, Y Y; Chen, H; Mizuseki, H; Kawazoe, Y
2011-04-14
We use density functional theory based nonequilibrium Green's function to self-consistently study the current through the 1,4-benzenedithiol (BDT). The elastic and inelastic tunneling properties through this Au-BDT-Au molecular junction are simulated, respectively. For the elastic tunneling case, it is found that the current through the tilted molecule can be modulated effectively by the external gate field, which is perpendicular to the phenyl ring. The gate voltage amplification comes from the modulation of the interaction between the electrodes and the molecules in the junctions. For the inelastic case, the electron tunneling scattered by the molecular vibrational modes is considered within the self-consistent Born approximation scheme, and the inelastic electron tunneling spectrum is calculated.
International Nuclear Information System (INIS)
Zhao, X.G.; Chen, S.G.
1992-01-01
In this paper, the energy spectrum and the wave functions for a tight-binding Bloch electron on coupled chains under the action of both uniform electric and magnetic fields are studied in detail. Exact results are obtained for the case when the coupling between chains is large by using the perturbation theory, from which it is found that the spectrum is that of two interspaced Stark ladders. The magnetic field dependence of the energy spectrum is also discussed
International Nuclear Information System (INIS)
Zhang Jiatai
1994-01-01
From the theory of stimulated Raman scattering (SRS) three wave interaction, a new method of detecting the electron temperature in laser-plasma is obtained. SRS spectrum obtained from Shenguang No. 12 Nd-laser experiments are analysed. Using the wave length of short wave cut off of SRS, the electron temperature in corona plasma region is calculated consistently. These results agree reasonable with X-ray spectrum experiments
Electron band theory 1952-1962
International Nuclear Information System (INIS)
Lomer, W.M.
1980-01-01
Work undertaken by the Theoretical Physics Division between 1952 and 1965 to obtain an understanding of electrons in metals, with uranium and the actinides and the structurally-important transition metals as the main targets is examined. A main result of that period was a conviction that the majority of the physical properties of all metals, except the 4f rare-earth series and the actinides beyond uranium, were dominated by band effects which could be described well enough for most purposes by simple one-electron calculations with simple self-consistent fields. The period from 1960 on showed increasingly clearly the necessity of incorporating relativistic spin-orbit coupling terms in the heavy metals, and some 'local exchange field' correction to the fields close to nuclei. The problems of the non-local interaction of spins - highly important for alloy theory and for antiferromagnetic instability -required the evolution of computers large enough to produce wave-functions at all wave-vectors for all bands so that the susceptibility at arbitrary wave-vector could be computed. This work has not proved to be very illuminating so far, and much interest again focusses today on heuristic arguments that give qualitative descriptions of band structures, such as canonical d-bands to account for crystal structure. (UK)
Schuwerk, Tobias; Vuori, Maria; Sodian, Beate
2015-01-01
This study aimed to investigate the relationship between explicit and implicit forms of Theory of Mind reasoning and to test the influence of experience on implicit Theory of Mind reasoning in individuals with autism spectrum disorders and in neurotypical adults. Results from two standard explicit Theory of Mind tasks are mixed: Individuals with…
Problems of linear electron (polaron) transport theory in semiconductors
Klinger, M I
1979-01-01
Problems of Linear Electron (Polaron) Transport Theory in Semiconductors summarizes and discusses the development of areas in electron transport theory in semiconductors, with emphasis on the fundamental aspects of the theory and the essential physical nature of the transport processes. The book is organized into three parts. Part I focuses on some general topics in the theory of transport phenomena: the general dynamical theory of linear transport in dissipative systems (Kubo formulae) and the phenomenological theory. Part II deals with the theory of polaron transport in a crystalline semicon
Universal spectrum of 2d conformal field theory in the large c limit
Thomas HartmanKavli Institute for Theoretical Physics, University of California, Santa Barbara, CA 93106-4030, U.S.A.; Christoph A. Keller(NHETC, Rutgers, The State University of New Jersey, Piscataway, NJ 08854-8019, U.S.A.); Bogdan Stoica(Walter Burke Institute for Theoretical Physics, California Institute of Technology, 452-48, Pasadena, CA 91125, U.S.A.)
2014-01-01
Two-dimensional conformal field theories exhibit a universal free energy in the high temperature limit $T \\to \\infty$, and a universal spectrum in the Cardy regime, $\\Delta \\to \\infty$. We show that a much stronger form of universality holds in theories with a large central charge $c$ and a sparse light spectrum. In these theories, the free energy is universal at all values of the temperature, and the microscopic spectrum matches the Cardy entropy for all $\\Delta \\geq c/6$. The same is true o...
Theory of Raman scattering in coupled electron-phonon systems
Itai, K.
1992-01-01
The Raman spectrum is calculated for a coupled conduction-electron-phonon system in the zero-momentum-transfer limit. The Raman scattering is due to electron-hole excitations and phonons as well. The phonons of those branches that contribute to the electron self-energy and the correction of the electron-phonon vertex are assumed to have flat energy dispersion (the Einstein phonons). The effect of electron-impurity scattering is also incorporated. Both the electron-phonon interaction and the electron-impurity interaction cause the fluctuation of the electron distribution between different parts of the Fermi surface, which results in overdamped zero-sound modes of various symmetries. The scattering cross section is obtained by solving the Bethe-Salpeter equation. The spectrum shows a lower threshold at the smallest Einstein phonon energy when only the electron-phonon interaction is taken into consideration. When impurities are also taken into consideration, the threshold disappears.
THEORY OF MIND IN CHILDREN WITH FETAL ALCOHOL SPECTRUM DISORDERS
Lindinger, Nadine M.; Malcolm-Smith, Susan; Dodge, Neil C.; Molteno, Christopher D.; Thomas, Kevin G. F.; Meintjes, Ernesta M.; Jacobson, Joseph L.; Jacobson, Sandra W.
2015-01-01
Background Theory of mind (ToM) refers to the ability to understand and make inferences about other people’s intentions, feelings, and beliefs. Although children with fetal alcohol spectrum disorders (FASD) are known to have deficits in social-cognitive function, little is known about ToM in FASD. Methods ToM ability was assessed using a developmentally sensitive ToM battery, including the Reading the Mind in the Eyes (RME) test, a measure of mental inferential ability that has been found to be impaired in other clinical populations. IQ and executive function (EF) were assessed as potential mediating variables. The battery was administered to 63 children (aged 9–11 years) from Cape Town, South Africa, whose mothers had been prospectively recruited during pregnancy. Children with fetal alcohol syndrome (FAS; n=8) and partial FAS (PFAS; n=19), as well as nonsyndromal heavily exposed children (HE; n=17), were compared to children born to abstaining or light drinkers (n=19) from the same community. Results No FASD group differences were found on the less challenging ToM tasks. By contrast, children with FAS and PFAS performed more poorly than controls on a more challenging ToM task, the RME test. A continuous measure of prenatal alcohol exposure was more sensitive than FASD diagnosis in that it was related to four higher-order ToM measures, particularly the ability to attribute mental states assessed on RME. IQ only partially mediated the effect of exposure on RME performance, and these effects were not mediated by EF. Hence, the data suggest that these ToM measures tap into a specific alcohol-related social-cognitive deficit that does not merely reflect poorer EF. FASD diagnosis and prenatal alcohol exposure were each also related to RME after control for Attention Deficit/Hyperactivity Disorder. Conclusions These findings suggest that deficits in higher-order ToM function may play a significant role in the social-cognitive behavioural impairment in FASD. PMID
Graph-based linear scaling electronic structure theory
Energy Technology Data Exchange (ETDEWEB)
Niklasson, Anders M. N., E-mail: amn@lanl.gov; Negre, Christian F. A.; Cawkwell, Marc J.; Swart, Pieter J.; Germann, Timothy C.; Bock, Nicolas [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Mniszewski, Susan M.; Mohd-Yusof, Jamal; Wall, Michael E.; Djidjev, Hristo [Computer, Computational, and Statistical Sciences Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Rubensson, Emanuel H. [Division of Scientific Computing, Department of Information Technology, Uppsala University, Box 337, SE-751 05 Uppsala (Sweden)
2016-06-21
We show how graph theory can be combined with quantum theory to calculate the electronic structure of large complex systems. The graph formalism is general and applicable to a broad range of electronic structure methods and materials, including challenging systems such as biomolecules. The methodology combines well-controlled accuracy, low computational cost, and natural low-communication parallelism. This combination addresses substantial shortcomings of linear scaling electronic structure theory, in particular with respect to quantum-based molecular dynamics simulations.
Effective field theories for correlated electrons
International Nuclear Information System (INIS)
Wallington, J.P.
1999-10-01
In this thesis, techniques of functional integration are applied to the construction of effective field theories for models of strongly correlated electrons. This is accomplished by means of the Hubbard-Stratonovic transformation which maps a system of interacting fermions onto one of free fermions interacting, not with each other, but with bosonic fields representing the collective modes of the system. Different choices of transformation are investigated throughout the thesis. It is shown that there exists a new group of discrete symmetries and transformations of the Hubbard model. Using this new group, the problem of choosing a Hubbard-Stratonovic decomposition of the Hubbard interaction term is solved. In the context of the exotic doped barium bismuthates, an extended Hubbard model with on-site attraction and nearest neighbour repulsion is studied. Mean field and renormalisation group analyses show a 'pseudospin-flop' from charge density wave to superconductivity as a function of filling. The nearest neighbour attractive Hubbard model on a quasi-2D lattice is studied as a simple phenomenological model for the high-T c cuprates. Mean field theory shows a transition from pure d-wave to pure s-wave superconductivity, via a mixed symmetry s + id state. Using Gaussian fluctuations, the BCS-Bose crossover is examined and suggestions are made about the origin of the angle dependence of the pseudogap. The continuum delta-shell potential model is introduced for anisotropic superconductors. Its mean field phases are studied and found to have some unusual properties. The BCS-Bose crossover is examined and the results are compared with those of the lattice model. Quasi-2D (highly anisotropic 3D) systems are considered. The critical properties of a Bose gas are investigated as the degree of anisotropy is varied. A new 2D Bose condensate state is found. A renormalisation group analysis is used to investigate the crossover from 2D to 3D. (author)
Introduction to the theory of low-energy electron diffraction
International Nuclear Information System (INIS)
Fingerland, A.; Tomasek, M.
1975-01-01
An elementary introduction to the basic principles of the theory of low-energy electron diffraction is presented. General scattering theory is used to classify the hitherto known approaches to the problem (optical potential and one-electron approximation; formal scattering theory: Born expansion and multiple scattering; translational symmetry: Ewald construction; classification of LEED theories by means of the T matrix; pseudokinematical theory for crystal with clean surface and with an adsorbed monomolecular layer; dynamical theory; inclusion of inelastic collisions; discussion of a simple example by means of the band-structure approach)
Theory of Mind Deficit versus Faulty Procedural Memory in Autism Spectrum Disorders
Romero-Munguía, Miguel Ángel
2013-01-01
Individuals with autism spectrum disorders (ASD) have impairments in social interaction, communicative capacity, and behavioral flexibility (core triad). Three major cognitive theories (theory of mind deficit, weak central coherence, and executive dysfunction) seem to explain many of these impairments. Currently, however, the empathizing-systemizing (a newer version of the theory of mind deficit account) and mnesic imbalance theories are the only ones that attempt to explain all these core tr...
Theory of Mind, linguistic recursion and autism spectrum disorder
DEFF Research Database (Denmark)
Polyanskaya, Irina; Blackburn, Patrick Rowan; Braüner, Torben
2017-01-01
In this paper we give the motivation for and discuss the design of an experiment investigating whether the acquisition of linguistic recur-sion helps children with Autism Spectrum Disorder (ASD) develop second-order false belief skills. We first present the relevant psycho-logical concepts (in...
Modified Sternglass theory for the emission of secondary electrons by fast-electron impact
International Nuclear Information System (INIS)
Suszcynsky, D.M.; Borovsky, J.E.
1992-01-01
The Sternglass theory [Sternglass, Phys. Rev. 108, 1 (1957)] for fast-ion-induced secondary-electron emission from metals has been modified to predict the secondary-electron yield from metals impacted by energetic (several keV to about 200 keV) electrons. The primary modification of the theory accounts for the contribution of the backscattered electrons to the production of secondary electrons based on a knowledge of the backscattered-electron energy distribution. The modified theory is in reasonable agreement with recent experimental data from gold targets in the 6--30-keV electron energy range
Matthews, Nicole L; Goldberg, Wendy A
2018-04-01
The two prior studies that have examined associations between the sibling constellation and theory of mind in autism spectrum disorder yielded discrepant findings. Thus, efforts to better understand the sibling-theory of mind link in autism spectrum disorder are necessary. This study examined a sample of prekindergarten- and kindergarten-aged (i.e. 4-6 years) typically developing children ( n = 39) and verbal children with autism spectrum disorder ( n = 61). Sibling presence, number of siblings, and having younger and older siblings were positively associated with theory of mind in typically developing children, but not in the full sample of children with autism spectrum disorder. However, in the subgroup of children with autism spectrum disorder without sibling recurrence, the presence of at least one older sibling was positively associated with theory of mind. Findings expand previous limited research on the sibling-theory of mind link in children with autism spectrum disorder by demonstrating a potential difference in the influence of the sibling constellation between children from simplex and multiplex families.
Explaining autism spectrum disorders: central coherence vs. predictive coding theories.
Chan, Jason S; Naumer, Marcus J
2014-12-01
In this article, we review a recent paper by Stevenson et al. (J Neurosci 34: 691-697, 2014). This paper illustrates the need to present different forms of stimuli in order to characterize the perceptual abilities of people with autism spectrum disorder (ASD). Furthermore, we will discuss their behavioral results and offer an opposing viewpoint to the suggested neuronal drivers of ASD. Copyright © 2014 the American Physiological Society.
An introduction to the electron theory of solids
Stringer, John; Hopkins, D W; Finniston, H M
2013-01-01
An Introduction to the Electron Theory of Solids introduces the reader to the electron theory of solids. Topics covered range from the breakdown of classical theory to atomic spectra and the old quantum theory, as well as the uncertainty principle of Heisenberg and the foundations of quantum mechanics. Some problems in wave mechanics and a wave-mechanical treatment of the simple harmonic oscillator and the hydrogen atom are also presented.Comprised of 12 chapters, this book begins with an introduction to Isaac Newton's theory of classical mechanics and how the scientists after him discounted h
Kretschmer, A.; Lampmann, S.A.; Altgassen, A.M.
2014-01-01
The aims of the present study were to investigate relations between moral reasoning, executive functioning and Theory of Mind in children with autism spectrum disorders (ASD) compared to typically developing children and to apply the dual aspect theory of Lind (1978, 2008) to moral reasoning in
De Rújula, A.
2015-01-01
It is in principle possible to measure directly the electron neutrino mass (or masses and mixing angles) in weak electron-capture decays. The optimal nuclide in this respect is $^{163}$Ho. The favoured experimental technique, currently pursued in various experiments (ECHo, HOLMES and NuMECS) is "calorimetric". The calorimetric energy spectrum is a sum over the unstable vacant orbitals, or "holes", left by the electrons weakly captured by the nucleus. We discuss the current progress in this field and analize the preliminary data. Our conclusion is that, as pointed out by Robertson, the contribution of two-hole states is not negligible. But --in strong contradistinction with the tacit conclusion of previous comparisons of theory and observations-- we find a quite satisfactory agreement. A crucial point is that, in the creation of secondary holes, electron shakeoff and not only electron shakeup must be taken into account.
Spontaneous theory of mind and its absence in autism spectrum disorders
Senju, Atsushi
2011-01-01
Theory of mind, the cognitive capacity to infer others' mental states, is crucial for the development of social communication. The impairment of theory of mind may relate to autism spectrum disorder (ASD), which is characterized by profound difficulties in social interaction and communication. In the current article, I summarize recent updates in theory of mind research utilizing the spontaneous false belief test, which assesses participants' spontaneous tendency to attribute belief status to...
Energy spectrum of Compton scattering of laser photons on relativistic electrons
International Nuclear Information System (INIS)
Ando, Hiroaki; Yoneda, Yasuharu
1976-01-01
The high energy photons in gamma-ray region are obtainable by the Compton scattering of laser photons on relativistic electrons. But the motion of the electrons in the storage ring is not necessarily uniform. In the study of the uneven effect, the energy distribution of scattered photons is derived from the assumed momentum distribution of incident electrons. It is generally impossible to derive the momentum distribution of incident electrons from the energy spectrum of scattered photons. The additional conditions which make this possible in a special case are considered. A calculational method is examined for deriving the energy spectrum of scattered photons from the assumed momentum distribution of incident electrons. (Mori, K.)
Electron-plasmon model in the electron liquid theory
Directory of Open Access Journals (Sweden)
M.V.Vavrukh
2005-01-01
Full Text Available Here we propose an accurate approach to the description of the electron liquid model in the electron and plasmon terms. Our ideas in the present paper are close to the conception of the collective variables which was developed in the papers of Bohm and Pines. However we use another body of mathematics in the transition to the expanded space of variable particles and plasmons realized by the transition operator. It is evident that in the Random Phase Approximation (RPA, the model which consists of two interactive subsystems of electrons and plasmons is equivalent to the electron liquid model with Coulomb interaction.
A theory of electron baths: One-electron system dynamics
International Nuclear Information System (INIS)
McDowell, H.K.
1992-01-01
The second-quantized, many-electron, atomic, and molecular Hamiltonian is partitioned both by the identity or labeling of the spin orbitals and by the dynamics of the spin orbitals into a system coupled to a bath. The electron bath is treated by a molecular time scale generalized Langevin equation approach designed to include one-electron dynamics in the system dynamics. The bath is formulated as an equivalent chain of spin orbitals through the introduction of equivalent-chain annihilation and creation operators. Both the dynamics and the quantum grand canonical statistical properties of the electron bath are examined. Two versions for the statistical properties of the bath are pursued. Using a weak bath assumption, a bath statistical average is defined which allows one to achieve a reduced dynamics description of the electron system which is coupled to the electron bath. In a strong bath assumption effective Hamiltonians are obtained which reproduce the dynamics of the bath and which lead to the same results as found in the weak bath assumption. The effective (but exact) Hamiltonian is found to be a one-electron Hamiltonian. A reduced dynamics equation of motion for the system population matrix is derived and found to agree with a previous version. This equation of motion is useful for studying electron transfer in the system when coupled to an electron bath
The discrete spectrum in azimuthally dependent transport theory
International Nuclear Information System (INIS)
Garcia, R.D.M.; Siewert, C.E.
1989-01-01
The discrete spectrum for each component of a Fourier decomposition of the azimuthally dependent transport equation is analyzed. For a non-multiplying medium described by an L th -order scattering law, the problem of determining the zeros of the dispersion function for the m th Fourier component is formulated in terms of Sturm sequences. In particular, a straightforward application of the Sturm-sequence property is used to compute the number of discrete eigenvalue pairs κ m and to show that either κ m = γ m or κ m = γ m + 1, where γ m denotes the number of zeros of the Chandrasekhar polynomial g m L+1 (ξ) which are greater than unity. It is also shown how Sturm sequences can be used to construct effective algorithms to compute and to refine estimates of the discrete eigenvalues. Results are presented for a test problem. (author) [pt
Information Theory Broadens the Spectrum of Molecular Ecology and Evolution.
Sherwin, W B; Chao, A; Jost, L; Smouse, P E
2017-12-01
Information or entropy analysis of diversity is used extensively in community ecology, and has recently been exploited for prediction and analysis in molecular ecology and evolution. Information measures belong to a spectrum (or q profile) of measures whose contrasting properties provide a rich summary of diversity, including allelic richness (q=0), Shannon information (q=1), and heterozygosity (q=2). We present the merits of information measures for describing and forecasting molecular variation within and among groups, comparing forecasts with data, and evaluating underlying processes such as dispersal. Importantly, information measures directly link causal processes and divergence outcomes, have straightforward relationship to allele frequency differences (including monotonicity that q=2 lacks), and show additivity across hierarchical layers such as ecology, behaviour, cellular processes, and nongenetic inheritance. Copyright © 2017 Elsevier Ltd. All rights reserved.
Theory of electronic excitations: a complex story
International Nuclear Information System (INIS)
Reinig, L.
2014-01-01
The interaction of radiation with matter is a challenge for condensed matter physics. Indeed, it consists in understanding how a collective system of about 10 23 electrons reacts to a perturbation. The difficulty lays in the fact that the electrons are not independent and the correlations between electrons appear for instance in the complexity of the energy spectra of the electrons released in the photon-induced emission process. It is unrealistic to solve the multi-particle Schroedinger equation that describes the behaviour of 10 23 electrons, the challenge is to find adequate mathematical models and approximations that contains the physics we want to study. Feynman diagrams are used to interpret the equations more easily
A multislice theory of electron inelastic scattering in a solid
International Nuclear Information System (INIS)
Wang, Z.L.
1989-01-01
A multislice theory is proposed to solve Yoshioka's coupling equations for elastic and inelastic scattered high-energy electrons in a solid. This method is capable, in principle, of including the non-periodic crystal structures and the electron multiple scattering among all the excited states in the calculations. It is proved that the proposed theory for calculating the energy-filtered inelastic images, based on the physical optics approach, is equivalent to the quantum-mechanical theory under some approximations. The basic theory of simulating the energy-filtered inelastic image of core-shell losses and thermal diffuse scattering is outlined. (orig.)
Nonlinear theory for the parametric instability with comparable electron and ion temperatures
International Nuclear Information System (INIS)
Oberman, C.
1972-01-01
The basic linear theory of the parametric instability driven by a pump E 0 sin ω 0 t oscillating near the electron plasma frequency is reviewed. An expression is derived for the temporal nonlinear development of the fluctuation spectrum of the excited waves. For plasma with comparable electron and ion temperatures nonlinear Landau damping of electron plasma waves on ions provides the dominant nonlinearity. The steady state solutions are examined both analytically and numerically in the limit when the spontaneous emission term is small. The characteristics of the plasma wave spectrum agrees well with the general features of ionospheric observations. The enhanced dissipation rate of the pump due to the presence of the fluctuations agrees with laboratory observations. (U.S.)
Electron energy spectrum and maximum disruption angle under multi-photon beamstrahlung
Energy Technology Data Exchange (ETDEWEB)
Yokoya, Kaoru; Chen, Pisin
1989-03-01
The final electron energy spectrum under multi-photon beamstrahlung process is derived analytically in the classical and the intermediate regimes. The maximum disruption angle from the low energy tail of the spectrum is also estimated. The results are then applied to the TLC and the CLIC parameters. 6 refs., 1 fig., 1 tab.
Contribution of back-scattered electromagnetic rays to the Moessbauer conversion electron spectrum
International Nuclear Information System (INIS)
Ruskov, T.; Ruskov, R.; Paneva, D.; Lefterov, D.
1999-01-01
The contribution of back-scattered electromagnetic rays in a 57 Fe conversion electron Moessbauer spectrum is considered using proportional counter as a detector. A simplified method for measuring this contribution is described. The experimental results show that this contribution strongly depends on the construction of the counter and the selected fraction in the pulse-height spectrum
Instructional Approach to Molecular Electronic Structure Theory
Dykstra, Clifford E.; Schaefer, Henry F.
1977-01-01
Describes a graduate quantum mechanics projects in which students write a computer program that performs ab initio calculations on the electronic structure of a simple molecule. Theoretical potential energy curves are produced. (MLH)
The annihilation spectrum of relatiVistic electron-positron plasma
International Nuclear Information System (INIS)
Aragonyan, F.A.; Atoyan, A.M.; Syunyaev, R.A.
1980-01-01
The annihilation spectrum of isotropically distributed monoenergetic electrons and positrons is obtained. The spectrum of the (e + e - ) plasma is analyzed in a large range of plasma temperatures. The comparison of transitions peratures. The comparison of transitions intensities of annihilation radiation and bremsstrahlung shows that for temperatures kT 2 (e + e - ) plasma is cooled mainly due to annihilation. The case of the fast positron annihilation on the rest electrons also considered. The possible astrophysical applications are discussed [ru
Entropy Spectrum of Black Holes of Heterotic String Theory via Adiabatic Invariance
Institute of Scientific and Technical Information of China (English)
Alexis Larra？ aga; Luis Cabarique; Manuel Londo？ o
2012-01-01
Using adiabatic invariance and the Bohr-Sommerfeld quantization rule we investigate the entropy spectroscopy of two black holes of heterotic string theory,the charged GMGHS and the rotating Sen solutions.It is shown that the entropy spectrum is equally spaced in both cases,identically to the spectrum obtained before for Schwarzschild,Reissner-Nordstr?m and Kerr black holes.Since the adiabatic invariance method does not use quasinormal mode analysis,there is no need to impose the small charge or small angular momentum limits and there is no confusion on whether the real part or the imaginary part of the modes is responsible for the entropy spectrum.
DEFF Research Database (Denmark)
Høgfeldt Hansen, Leif
2016-01-01
The publication functions as a proces description of the development and construction of an urban furniture SPECTRUM in the city of Gwangju, Republic of Korea. It is used as the cataloque for the exhibition of Spectrum.......The publication functions as a proces description of the development and construction of an urban furniture SPECTRUM in the city of Gwangju, Republic of Korea. It is used as the cataloque for the exhibition of Spectrum....
Lessons From Managerial Theories for Improving Virtualness in Electronic Business
Wassenaar, Arjen; Govindaraju, Rajesri; Govindaraju, R.; Moreno Bragado, Elisa; Moreno Bragado, Elisa; von Raesfeld Meijer, Ariane M.; Ribbers, Pieter; Swagerman, D.M.; Sieber, Pascal; Griese, Joachim
1998-01-01
Electronic business and virtual organisations are important research topics in the IS research community today. At the same time these research topics are very appropriate for interdisciplinary research. The panel aims: - presentation of lessons from managerial theories for improving organisational
Electron-positron scattering and gauge theories
International Nuclear Information System (INIS)
Davier, M.
1983-07-01
Recent results from high-energy e + e - colliding facilities are reviewed in the context of gauge theories. First QCD analyses are discussed and difficulties are seen to arise from the interplay between perturbative QCD and non-perturbative fragmentation processes. Many results have been recently obtained on weak electromagnetic interference, strengthening our faith in the standard SU(2) x U(1) theory: however some pieces are still missing and looked for. Finally, vigourous searches are pursued to find clues for physics beyond the SU(3) x SU(2) x U(1) framework: among those supersymmetric particles are being actively hunted in a large variety of situations
Revised theory of Pierce-type electron guns
International Nuclear Information System (INIS)
Sar-El, H.Z.
1982-01-01
Attempts to date to obtain the shape of the beam forming electrodes of various Pierce-type electron guns are briefly discussed with emphasis on the many discrepansis in the results of previous works. A revised theory of Pierce-type electron guns is proposed. The shapes of the beam-forming electrodes for all known configurations of Pierce guns were computed on the basis of the proposed theory. (orig.)
Quantum theory of the electron liquid
National Research Council Canada - National Science Library
Giuliani, Gabriele; Vignale, Giovanni
2005-01-01
... to the Wigner crystal, from the Luttinger liquid to the quantum Hall liquid, are extensively discussed. Both static and time-dependent density functional theory are presented in detail. Although the emphasis is on the development of the basic physical ideas and on a critical discussion of the most useful approximations, the formal derivation of the r...
Tecmer, P.; van Lingen, H.; Gomes, A.S.P.; Visscher, L.
2012-01-01
The electronic spectrum of the CUO molecule was investigated with the IHFSCC-SD (intermediate Hamiltonian Fock-space coupled cluster with singles and doubles) method and with TD-DFT (time-dependent density functional theory) employing the PBE and PBE0 exchange-correlation functionals. The importance
Quantum chemistry the development of ab initio methods in molecular electronic structure theory
Schaefer III, Henry F
2004-01-01
This guide is guaranteed to prove of keen interest to the broad spectrum of experimental chemists who use electronic structure theory to assist in the interpretation of their laboratory findings. A list of 150 landmark papers in ab initio molecular electronic structure methods, it features the first page of each paper (which usually encompasses the abstract and introduction). Its primary focus is methodology, rather than the examination of particular chemical problems, and the selected papers either present new and important methods or illustrate the effectiveness of existing methods in predi
International Nuclear Information System (INIS)
Pathak, R.K.
1985-01-01
Statistical electron angular correlation coefficients tau = 2 2 He through 14 Si, within the Hohenberg-Kohn-Sham density-functional formalism. These are computed with use of the spectral sum rules obtained from the pseudoexcitation spectrum employing the recent formulation of the time-dependent Kohn-Sham theory due to Bartolotti. Various approximations to the exchange-correlation energy functional are used and for first-row atoms, a comparison is made with the highly accurate correlation coefficients recently obtained by Thakkar. The present tau values show closer agreement with those of Thakkar with increasing number of electrons
Orbital Models and Electronic Structure Theory
DEFF Research Database (Denmark)
Linderberg, Jan
2012-01-01
This tribute to the work by Carl Johan Ballhausen focuses on the emergence of quantitative means for the study of the electronic properties of complexes and molecules. Development, refinement and application of the orbital picture elucidated electric and magnetic features of ranges of molecules...
Directory of Open Access Journals (Sweden)
O.Ya.Farenyuk
2006-01-01
Full Text Available The pseudospin-electron model with tunneling splitting of levels is considered. Generalization of dynamic mean-field method for systems with correlated hopping was applied to the investigation of the model. Electron spectra, electron concentrations, average values of pseudospins and grand canonical potential were calculated within the alloy-analogy approximation. Electron spectrum and dependencies of the electron concentrations on chemical potential were obtained. It was shown that in the alloy-analogy approximation, the model possesses the first order phase transition to ferromagnetic state with the change of chemical potential and the second order phase transition with the change of temperature.
THEORY OF ELECTRON-DEUTERON SCATTERING
Energy Technology Data Exchange (ETDEWEB)
Durand, L. III
1963-06-15
Information on the electromagnetic form factors of the neutron is obtained from the theory of inelastic electrondeuteron scattering. Problems in the analysis of these experiments that are related to the detailed structure of the deuteron and to the strong final state interactions between the emergent nucleons are considered. Problems arising from an ambiguity in the sign of the Dirac or charge form factor are also discussed. (C.E.S.)
Quantum tunneling and field electron emission theories
Liang, Shi-Dong
2013-01-01
Quantum tunneling is an essential issue in quantum physics. Especially, the rapid development of nanotechnology in recent years promises a lot of applications in condensed matter physics, surface science and nanodevices, which are growing interests in fundamental issues, computational techniques and potential applications of quantum tunneling. The book involves two relevant topics. One is quantum tunneling theory in condensed matter physics, including the basic concepts and methods, especially for recent developments in mesoscopic physics and computational formulation. The second part is the f
Multifrequency Electron Paramagnetic Resonance Theory and Applications
Misra, Sushil K
2011-01-01
Filling the gap for a systematic, authoritative, and up-to-date review of this cutting-edge technique, this book covers both low and high frequency EPR, emphasizing the importance of adopting the multifrequency approach to study paramagnetic systems in full detail by using the EPR method. In so doing, it discusses not only the underlying theory and applications, but also all recent advances -- with a final section devoted to future perspectives.
Nonlinear theory of the free-electron laser
International Nuclear Information System (INIS)
Chian, A.C.-L.; Padua Brito Serbeto, A. de.
1984-01-01
A theory of Raman free-electron laser using a circularly polarized electromagnetic pump is investigated. Coupled wave equations that describe both linear and nonlinear evolution of stimulated Raman scattering are derived. The dispersion relation and the growth rate for the parametric instability are obtained. Nonlinear processes that may lead to saturation of the free-electron laser are discussed. (Author) [pt
Energy Dependence of Near-relativistic Electron Spectrum at ...
Indian Academy of Sciences (India)
chronous altitudes during solar energetic proton events of 2005. ... discussed the radiation belt electron drop outs with respect to their local time, radial and ... number density (Nsw), solar wind speed (Vsw), solar wind pressure (Psw), average.
One-Electron Theory of Metals. Cohesive and Structural Properties
DEFF Research Database (Denmark)
Skriver, Hans Lomholt
The work described in the report r.nd the 16 accompanying publications is based upon a one-electron theory obtained within the local approximation to density-functional theory, and deals with the ground state of metals as obtained from selfconsistent electronic-structure calculations performed...... by means of the Linear Muffin-Tin Orbital (LMTO) method. It has been the goal of the work to establish how well this one-electron approach describes physical properties such as the crystal structures of the transition metals, the structural phase transitions in the alkali, alkaline earth, and rare earth...
Electric circuit theory applied electricity and electronics
Yorke, R
1981-01-01
Electric Circuit Theory provides a concise coverage of the framework of electrical engineering. Comprised of six chapters, this book emphasizes the physical process of electrical engineering rather than abstract mathematics. Chapter 1 deals with files, circuits, and parameters, while Chapter 2 covers the natural and forced response of simple circuit. Chapter 3 talks about the sinusoidal steady state, and Chapter 4 discusses the circuit analysis. The fifth chapter tackles frequency response of networks, and the last chapter covers polyphase systems. This book will be of great help to electrical
An Energy-Efficient Game-Theory-Based Spectrum Decision Scheme for Cognitive Radio Sensor Networks.
Salim, Shelly; Moh, Sangman
2016-06-30
A cognitive radio sensor network (CRSN) is a wireless sensor network in which sensor nodes are equipped with cognitive radio. In this paper, we propose an energy-efficient game-theory-based spectrum decision (EGSD) scheme for CRSNs to prolong the network lifetime. Note that energy efficiency is the most important design consideration in CRSNs because it determines the network lifetime. The central part of the EGSD scheme consists of two spectrum selection algorithms: random selection and game-theory-based selection. The EGSD scheme also includes a clustering algorithm, spectrum characterization with a Markov chain, and cluster member coordination. Our performance study shows that EGSD outperforms the existing popular framework in terms of network lifetime and coordination overhead.
An Energy-Efficient Game-Theory-Based Spectrum Decision Scheme for Cognitive Radio Sensor Networks
Directory of Open Access Journals (Sweden)
Shelly Salim
2016-06-01
Full Text Available A cognitive radio sensor network (CRSN is a wireless sensor network in which sensor nodes are equipped with cognitive radio. In this paper, we propose an energy-efficient game-theory-based spectrum decision (EGSD scheme for CRSNs to prolong the network lifetime. Note that energy efficiency is the most important design consideration in CRSNs because it determines the network lifetime. The central part of the EGSD scheme consists of two spectrum selection algorithms: random selection and game-theory-based selection. The EGSD scheme also includes a clustering algorithm, spectrum characterization with a Markov chain, and cluster member coordination. Our performance study shows that EGSD outperforms the existing popular framework in terms of network lifetime and coordination overhead.
The Extreme Male Brain Theory and Gender Role Behaviour in Persons with an Autism Spectrum Condition
Stauder, J. E. A.; Cornet, L. J. M.; Ponds, R. W. H. M.
2011-01-01
According to the Extreme Male Brain theory persons with autism possess masculinised cognitive traits. In this study masculinisation of gender role behaviour is evaluated in 25 persons with an autism spectrum condition (ASC) and matched controls with gender role behaviour as part of a shortened version of the Minnesota Multiphasic Personality…
Fein, Lance; Jones, Don
2015-01-01
This study addresses the compromise skills that are taught to students diagnosed with autistic spectrum disorders (ASD) and related social and communication deficits. A private school in the southeastern United States implemented an emergence theory-based curriculum to address these skills, yet no formal analysis was conducted to determine its…
Idiom, Syntax, and Advanced Theory of Mind Abilities in Children with Autism Spectrum Disorders
Whyte, Elisabeth M.; Nelson, Keith E.; Scherf, K. Suzanne
2014-01-01
Purpose: When researchers investigate figurative language abilities (including idioms) in children with autism spectrum disorder (ASD), syntax abilities may be more important than once considered. In addition, there are limitations to the overreliance on false-belief tasks to measure theory of mind (TOM) abilities. In the current study, the…
Rethinking Theory of Mind in High-Functioning Autism Spectrum Disorder
Scheeren, Anke M.; de Rosnay, Marc; Koot, Hans M.; Begeer, Sander
2013-01-01
Background: The sociocommunicative problems in autism spectrum disorder (ASD) are traditionally linked to impairments in Theory of Mind (ToM), the ability to ascribe mental states to others. Although ToM impairments are consistently reported in young children with ASD, findings on more advanced ToM understanding in older individuals with…
Williamson, Pamela; Carnahan, Christina R.; Jacobs, Jennifer A.
2012-01-01
Using a constructivist grounded theory approach, this study sought to understand what influences reading comprehension and how meaning is made from text among high-functioning individuals with autism spectrum disorder (ASD). Using a think-aloud procedure, 13 individuals ages 7-13 with ASD read 16 passages at their instructional reading level.…
Johnson, Gaige; Kohler, Kelly; Ross, Denise
2017-01-01
The purpose of the current paper is to describe the impact of applied behaviour analysis on language treatment for children with autism spectrum disorders (ASDs) diagnoses. Specifically, this paper will describe Skinner's theory of verbal behaviour and its contributions to evidence-based treatments for communication deficits among individuals with…
Perspective on the Cosmic-ray Electron Spectrum above TeV
Energy Technology Data Exchange (ETDEWEB)
Fang, Kun; Wang, Bing-Bing; Bi, Xiao-Jun; Lin, Su-Jie; Yin, Peng-Fei [Key Laboratory of Particle Astrophysics, Institute of High Energy Physics, Chinese Academy of Sciences, Beijing 100049 (China)
2017-02-20
The AMS-02 has measured the cosmic-ray electron (plus positron) spectrum up to ∼TeV with unprecedented precision. The spectrum can be well described by a power law without any obvious features above 10 GeV. The satellite instrument Dark Matter Particle Explorer (DAMPE), which was launched a year ago, will measure the electron spectrum up to 10 TeV with high-energy resolution. The cosmic electrons beyond TeV may be attributed to few local cosmic-ray sources, such as supernova remnants. Therefore, spectral features, such as cut-off and bumps, can be expected at high energies. In this work, we provide a careful study on the perspective of the electron spectrum beyond TeV. We first examine our astrophysical source models on the latest leptonic data of AMS-02 to give a self-consistent picture. Then we focus on the discussion about the candidate sources, which could be electron contributors above TeV. Depending on the properties of the local sources (especially on the nature of Vela), DAMPE may detect interesting features in the electron spectrum above TeV in the future.
Plugged In: Electronics Use in Youth and Young Adults with Autism Spectrum Disorder
MacMullin, Jennifer A.; Lunsky, Yona; Weiss, Jonathan A.
2016-01-01
Although electronic technology currently plays an integral role for most youth, there are growing concerns of its excessive and compulsive use. This study documents patterns and impact of electronics use in individuals with autism spectrum disorder compared to typically developing peers. Participants included 172 parents of typically developing…
ORGANIZATIONAL CAPITAL THEORY EXPRESSION OF ELECTRONIC HEALTH
Directory of Open Access Journals (Sweden)
Tomas Vedlūga
2017-03-01
Full Text Available Implementation of e-health is a very difficult and complex process in terms of health policy that requires both organizational ability to meet market requirements and well-managed internal communication, which is carried out through organizational capital and high organizational culture and philosophy. This process requires a change in the organizational processes of health care institutions, ensuring the management and use of health information in order to improve the functioning of health care institutions. Scientists emphasize that health care institutions, with a high organizational capital can effectively promote the development of e-health, by consistently improving the quality of health care services and increasing the confidence and sense of security by enhancing the individual‘s ability to become more involved in the health care system. Nevertheless, in Lithuania, the progress of health care institutions in the field of e-health varies significantly, therefore, different tendencies of e-health care indicators tend to be related to organizational capital. Organizational capital covering the various dimensions of social context analysis, and organizational capital theory is a paradigm that attempts to explain the e-health inequalities at the level of organizations. This paper has evaluated the organizational capital theory expression of the e-health level, to identify and analyze organizational capital assessment indices in the field of e-health and modeled organizational capital assessment scheme.
The nature of the cosmic-ray electron spectrum, and supernova remnant contributions
International Nuclear Information System (INIS)
Boulares, A.
1989-01-01
The observed cosmic-ray (CR) electron spectrum and position fraction e+/(e- + e+) spectrum above 1 GeV are examined, and it is found that a deconvolution of the total spectrum into three components is necessary because of the increase of e+/(e- + e+) above 5 GeV: (1) secondary electrons e+ or e- from the interaction of the CR protons with the interstellar gas provide the total e+ for energies less than 3 GeV, but for energies above 3 GeV these electrons cannot account for the observed positron flux; (2) Electrons (e-) generally thought to derive from supernova remnants (SNRs), probably via shock acceleration, dominate the total spectrum for E of 10 GeV or less but definitely decline relative to total at higher energies; (3) Another (e- + e+) source dominates the total spectrum at E of 40 GeV or greater. The derived spectrum of (2) is consistent in its energy cutoff (though gradual) with that deduced from the observed synchrotron emission of some old SNRs and follows naturally from shock acceleration with synchrotron and inverse Compton scattering losses taken into account. As for (3), nearby pulsars may be important contributors. 66 refs
Minimal supersymmetric grand unified theory: Symmetry breaking and the particle spectrum
International Nuclear Information System (INIS)
Bajc, Borut; Melfo, Alejandra; Senjanovic, Goran; Vissani, Francesco
2004-01-01
We discuss in detail the symmetry breaking and related issues in the minimal renormalizable supersymmetric grand unified theory. We find all the possible patterns of symmetry breaking, compute the associated particle spectrum and study its impact on the physical scales of the theory. In particular, the complete mass matrices of the SU(2) doublets and the color triplets are computed in connection with the doublet-triplet splitting and the d=5 proton decay. We explicitly construct the two light Higgs doublets as a function of the Higgs superpotential parameters. This provides a framework for the analysis of phenomenological implications of the theory, to be carried out in a second paper
Regular perturbation theory for two-electron atoms
International Nuclear Information System (INIS)
Feranchuk, I.D.; Triguk, V.V.
2011-01-01
Regular perturbation theory (RPT) for the ground and excited states of two-electron atoms or ions is developed. It is shown for the first time that summation of the matrix elements from the electron-electron interaction operator over all intermediate states can be calculated in a closed form by means of the two-particle Coulomb Green's function constructed in the Letter. It is shown that the second order approximation of RPT includes the main part of the correlation energy both for the ground and excited states. This approach can be also useful for description of two-electron atoms in external fields. -- Highlights: → We develop regular perturbation theory for the two-electron atoms or ions. → We calculate the sum of the matrix elements over all intermediate states. → We construct the two-particle Coulomb Green's function.
Modified perturbation theory for strongly correlated electron systems
International Nuclear Information System (INIS)
Takagi, Osamu; Saso, Tetsuro
1999-01-01
We propose a modified scheme for calculating the single-particle excitation spectrum of the impurity Anderson model. It is based on the second order perturbation theory, but modifies the self-energy so as to reproduce the correct atomic limit and to fulfill the Friedel sum rule. Therefore, it offers a simple scheme valid over wide range of excitation energy and parameters, and would be useful also for potential application to the lattice problems. (author)
The energy spectrum of the 'runaway' electrons from a high voltage pulsed discharge
International Nuclear Information System (INIS)
Ruset, C.
1985-01-01
Some experimental results are presented on the influence of the pressure upon the energy spectrum of the runaway electrons generated into a pulsed high voltage argon discharge. These electrons enter a state of continuous acceleration between two collisions with rapidly increasing free path. The applied discharge current varies from 10 to 300 A, the pulse time is about 800 ns. Relativistic effects are taken into consideration. Theoretical explanation is based on the pnenomenon of electron spreading on plasma oscillations. (D.Gy.)
International Nuclear Information System (INIS)
Artamonov, O.M.; Smirnov, O.M.; Terekhov, A.N.
1982-01-01
Formation of secondary electron energy spectrum during emission from the crystal layer near the surface has been considered, at that layer energy structure can be different from volumetric energy structure. Its thickness depends on the predominant mechanism of electron scattering and is determined by corresponding phenomenological parameters. It is shown that the structure in the secondary electron spectrum appears in the case when energy structure of emitting monocrystal layer can not be described in the approximation of almost free electron gas and, as experimental investigations show, approaches energy zone structure of its volume. It is also show that in the case when the energy structure of the emitting layer is satisfactorily described with the model of almost free electron gas, the SE spectrum is characterized with traditional cascade minimum. Experimental investigation of SE energy distribution was carried out for the W monocrystalline face (110). It was established that distinct structure in the SE spectrum appears only after electrochemical polishing of the specimen surface. It is related to the appearance of ''far'' order in the monocrystal emission layer on initially disturbed tungsten surface during such treatment. Disturbance of tungsten monocrystal surface structure on its oxidation in O 2 atmosphere results in the appearance of the cascade maximum and disappearance of distinct peculiarities in the SE spectrum
International Nuclear Information System (INIS)
Liu Qiuyan; Li Hong; Chen Zhipeng; Xie Jinlin; Liu Wandong
2011-01-01
Continuous emission spectrum measurement is applied for the inconvenient diagnostics of low-temperature collisional plasmas. According to the physical mechanism of continuous emission, a simplified model is presented to analyze the spectrum in low temperature plasma. The validity of this model is discussed in a wide range of discharge parameters, including electron temperature and ionization degree. Through the simplified model, the continuous emission spectrum in a collisional argon internal inductively coupled plasma is experimentally measured to determine the electron temperature distribution for different gas pressures and radio-frequency powers. The inverse Abel transform is also applied for a better spatially resoluted results. Meanwhile, the result of the continuous emission spectrum measurement is compared to that of the electrostatic double probes, which indicates the effectiveness of this method. (low temperature plasma)
International Nuclear Information System (INIS)
Wang, Lin-Wang
2006-01-01
Quantum mechanical ab initio calculation constitutes the biggest portion of the computer time in material science and chemical science simulations. As a computer center like NERSC, to better serve these communities, it will be very useful to have a prediction for the future trends of ab initio calculations in these areas. Such prediction can help us to decide what future computer architecture can be most useful for these communities, and what should be emphasized on in future supercomputer procurement. As the size of the computer and the size of the simulated physical systems increase, there is a renewed interest in using the real space grid method in electronic structure calculations. This is fueled by two factors. First, it is generally assumed that the real space grid method is more suitable for parallel computation for its limited communication requirement, compared with spectrum method where a global FFT is required. Second, as the size N of the calculated system increases together with the computer power, O(N) scaling approaches become more favorable than the traditional direct O(N 3 ) scaling methods. These O(N) methods are usually based on localized orbital in real space, which can be described more naturally by the real space basis. In this report, the author compares the real space methods versus the traditional plane wave (PW) spectrum methods, for their technical pros and cons, and the possible of future trends. For the real space method, the author focuses on the regular grid finite different (FD) method and the finite element (FE) method. These are the methods used mostly in material science simulation. As for chemical science, the predominant methods are still Gaussian basis method, and sometime the atomic orbital basis method. These two basis sets are localized in real space, and there is no indication that their roles in quantum chemical simulation will change anytime soon. The author focuses on the density functional theory (DFT), which is the
Spectrum and network measurements
Witte, Robert A
2014-01-01
This new edition of Spectrum and Network Measurements enables readers to understand the basic theory, relate it to measured results, and apply it when creating new designs. This comprehensive treatment of frequency domain measurements successfully consolidates all the pertinent theory into one text. It covers the theory and practice of spectrum and network measurements in electronic systems. It also provides thorough coverage of Fourier analysis, transmission lines, intermodulation distortion, signal-to-noise ratio and S-parameters.
Theory of Mind Deficit versus Faulty Procedural Memory in Autism Spectrum Disorders.
Romero-Munguía, Miguel Ángel
2013-01-01
Individuals with autism spectrum disorders (ASD) have impairments in social interaction, communicative capacity, and behavioral flexibility (core triad). Three major cognitive theories (theory of mind deficit, weak central coherence, and executive dysfunction) seem to explain many of these impairments. Currently, however, the empathizing-systemizing (a newer version of the theory of mind deficit account) and mnesic imbalance theories are the only ones that attempt to explain all these core triadic symptoms of ASD On the other hand, theory of mind deficit in empathizing-systemizing theory is the most influential account for ASD, but its counterpart in the mnesic imbalance theory, faulty procedural memory, seems to occur earlier in development; consequently, this might be a better solution to the problem of the etiology of ASD, if it truly meets the precedence criterion. Hence, in the present paper I review the reasoning in favor of the theory of mind deficit but with a new interpretation based on the mnesic imbalance theory, which posits that faulty procedural memory causes deficits in several cognitive skills, resulting in poor performance in theory of mind tasks.
Theory of Mind Deficit versus Faulty Procedural Memory in Autism Spectrum Disorders
Directory of Open Access Journals (Sweden)
Miguel Ángel Romero-Munguía
2013-01-01
Full Text Available Individuals with autism spectrum disorders (ASD have impairments in social interaction, communicative capacity, and behavioral flexibility (core triad. Three major cognitive theories (theory of mind deficit, weak central coherence, and executive dysfunction seem to explain many of these impairments. Currently, however, the empathizing-systemizing (a newer version of the theory of mind deficit account and mnesic imbalance theories are the only ones that attempt to explain all these core triadic symptoms of ASD On the other hand, theory of mind deficit in empathizing-systemizing theory is the most influential account for ASD, but its counterpart in the mnesic imbalance theory, faulty procedural memory, seems to occur earlier in development; consequently, this might be a better solution to the problem of the etiology of ASD, if it truly meets the precedence criterion. Hence, in the present paper I review the reasoning in favor of the theory of mind deficit but with a new interpretation based on the mnesic imbalance theory, which posits that faulty procedural memory causes deficits in several cognitive skills, resulting in poor performance in theory of mind tasks.
Marcus wins nobel prize in chemistry for electron transfer theory
International Nuclear Information System (INIS)
Levi, B.G.
1993-01-01
This article describes the work of Rudolf Marcus of Caltech leading to his receipt of the 1992 Nobel Prize in Chemistry open-quotes for his contributions to the theory of electron transfer reactions in chemical systems.close quotes Applications of Marcus' theory include such diverse phenomena as photosynthesis, electrically conducting polymers, chemiluminescence, and corrosion. Historical aspects of his career are given. 10 refs., 1 fig
International Nuclear Information System (INIS)
Riseborough, P.S.
1989-01-01
An N-fold-degenerate Hubbard model is examined in the weak-coupling regime. The one-electron Green's function is calculated from a systematic expansion of the irreducible self-energy in powers of 1/N. To lowest order in the expansion, one obtains a trivial mean-field theory. In the next leading order in 1/N, one finds that the dynamics are dominated by bosonlike collective excitations. The resulting expansion has the characteristics of the standard weak-coupling field theory, except the inclusion of the 1/N factors extends the regime of applicability to include Stoner-like enhancement factors which can be N times larger. The joint valence-band photoemission and inverse-photoemission spectrum is given by the trace of the imaginary part of the one-electron Green's function. The electronic spectrum has been calculated by truncating the series expansion for the self-energy in the lowest nontrivial order of 1/N. For small values of the Coulomb interaction between the electrons, the spectrum reduces to the form obtained by calculating the self-energy to second order in the Coulomb interaction. The spectra shows a narrowing of the band in the vicinity of the Fermi level and long high-energy band tails. When the boson spectrum softens, indicating the vicinity of a phase transition, the electronic spectrum shows the appearance of satellites. The results are compared with experimental observations of anomalies in the electronic spectra of uranium-based systems. The relation between the electronic spectrum and the thermodynamic mass enhancements is also discussed
Electron-nuclear. gamma. transition spectrum of a nucleus in a multicharged atomic ion
Energy Technology Data Exchange (ETDEWEB)
Ivanov, L N; Letokhov, V S
1987-08-01
The nuclear emission of absorption spectrum of an atom possesses a set of electron satelites which are due to an alternation of the state of the electron shell. It is shown that the mechanism of formation of the satellites might be different for neutral atoms and high-charge ions. In the first case (loose electron shell) a ''shaking'' of the shell resulting from the interaction between the nucleus and ..gamma.. quantum is predominant. In the second case (rigid electron shell) the mechanism involves a direct interaction between the ..gamma.. quantum and electrons. The second mechanism is important in the case of dipole nuclear transitions and dominates at ..gamma.. quantum energies
Field theory of the spinning electron: Internal motions
Salesi, Giovanni; Recami, Erasmo
1996-01-01
We present here a field theory of the spinning electron, by writing down a new equation for the 4-velocity field v^mu (different from that of Dirac theory), which allows a classically intelligible description of the electron. Moreover, we make explicit the noticeable kinematical properties of such velocity field (which also result different from the ordinary ones). At last, we analyze the internal zitterbewegung (zbw) motions, for both time-like and light-like speeds. We adopt in this paper t...
Two-component scattering model and the electron density spectrum
Zhou, A. Z.; Tan, J. Y.; Esamdin, A.; Wu, X. J.
2010-02-01
In this paper, we discuss a rigorous treatment of the refractive scintillation caused by a two-component interstellar scattering medium and a Kolmogorov form of density spectrum. It is assumed that the interstellar scattering medium is composed of a thin-screen interstellar medium (ISM) and an extended interstellar medium. We consider the case that the scattering of the thin screen concentrates in a thin layer represented by a δ function distribution and that the scattering density of the extended irregular medium satisfies the Gaussian distribution. We investigate and develop equations for the flux density structure function corresponding to this two-component ISM geometry in the scattering density distribution and compare our result with the observations. We conclude that the refractive scintillation caused by this two-component ISM scattering gives a more satisfactory explanation for the observed flux density variation than does the single extended medium model. The level of refractive scintillation is strongly sensitive to the distribution of scattering material along the line of sight (LOS). The theoretical modulation indices are comparatively less sensitive to the scattering strength of the thin-screen medium, but they critically depend on the distance from the observer to the thin screen. The logarithmic slope of the structure function is sensitive to the scattering strength of the thin-screen medium, but is relatively insensitive to the thin-screen location. Therefore, the proposed model can be applied to interpret the structure functions of flux density observed in pulsar PSR B2111 + 46 and PSR B0136 + 57. The result suggests that the medium consists of a discontinuous distribution of plasma turbulence embedded in the interstellar medium. Thus our work provides some insight into the distribution of the scattering along the LOS to the pulsar PSR B2111 + 46 and PSR B0136 + 57.
International Nuclear Information System (INIS)
Andreev, A A; Galkin, A L; Kalashnikov, M P; Korobkin, V V; Romanovsky, Mikhail Yu; Shiryaev, O B
2011-01-01
We study the motion of an electron and emission of electromagnetic waves by an electron in the field of a relativistically intense laser pulse. The dynamics of the electron is described by the Newton equation with the Lorentz force in the right-hand side. It is shown that the electrons may be ejected from the interaction region with high energy. The energy spectrum of these electrons and the technique of using the spectrum to assess the maximal intensity in the focus are analysed. It is found that electromagnetic radiation of an electron moving in an intense laser field occurs within a small angle around the direction of the electron trajectory tangent. The tangent quickly changes its direction in space; therefore, electromagnetic radiation of the electron in the far-field zone in a certain direction in the vicinity of the tangent is a short pulse with a duration as short as zeptoseconds. The calculation of the temporary and spectral distribution of the radiation field is carried out. (superintense laser fields)
Bora, E; Yücel, M; Pantelis, C
2009-10-01
The aim of this study was to critically review the literature in order to determine if Theory of Mind (ToM) impairment can be considered a trait-marker for schizophrenia spectrum disorders and bipolar disorder (BD). After a thorough literature search, we reviewed the empirical studies investigating ToM impairments in remitted schizophrenia patients, first episode patients, subjects at high-risk (HR) for psychosis and first-degree relatives of schizophrenia patients. Studies investigating ToM impairment in other schizophrenia spectrum conditions, affective psychosis and BD were also reviewed. ToM abnormalities exist at onset and continue throughout the course of schizophrenia, persist into remission, and while less severe, are apparent in HR populations. Mentalizing impairments are also observed in other forms of psychotic illness and BD. Mentalizing impairment in schizophrenia spectrum disorders and BD might reflect underlying general cognitive deficits and residual symptom expression, rather than representing a specific trait-marker.
Ab initio calculation of the electronic absorption spectrum of liquid water
International Nuclear Information System (INIS)
Martiniano, Hugo F. M. C.; Galamba, Nuno; Cabral, Benedito J. Costa
2014-01-01
The electronic absorption spectrum of liquid water was investigated by coupling a one-body energy decomposition scheme to configurations generated by classical and Born-Oppenheimer Molecular Dynamics (BOMD). A Frenkel exciton Hamiltonian formalism was adopted and the excitation energies in the liquid phase were calculated with the equation of motion coupled cluster with single and double excitations method. Molecular dynamics configurations were generated by different approaches. Classical MD were carried out with the TIP4P-Ew and AMOEBA force fields. The BLYP and BLYP-D3 exchange-correlation functionals were used in BOMD. Theoretical and experimental results for the electronic absorption spectrum of liquid water are in good agreement. Emphasis is placed on the relationship between the structure of liquid water predicted by the different models and the electronic absorption spectrum. The theoretical gas to liquid phase blue-shift of the peak positions of the electronic absorption spectrum is in good agreement with experiment. The overall shift is determined by a competition between the O–H stretching of the water monomer in liquid water that leads to a red-shift and polarization effects that induce a blue-shift. The results illustrate the importance of coupling many-body energy decomposition schemes to molecular dynamics configurations to carry out ab initio calculations of the electronic properties in liquid phase
Quantum theory of the laser radiation scattering by electrons in magnetic fields
International Nuclear Information System (INIS)
Rochlin, H.
1981-08-01
A system composed of an electron in a static magnetic field interacting with the quantized electromagnetic field, within the electric-dipole and the nonrelativistic approximations (with a cutoff in momentum space) is considered. The Heisenberg equations are solved exactly and the time evolution of the electric field is determined. This result is then used to obtain the spectrum of the scattered radiation when the initial state of the field is coherent, aplying the theory of photodetection. This theory is thoroughly discussed. Several expressions proposed in the literature for the time-dependent spectrum are compared and conditions for the equivalence of these expressions are analyzed. Moreover, inaccuracies in previous treatments of the theory of photodetection are corrected. The results allow the line shape of the scattered radiation to be analyzed for magnetic fields up to 10 12 G. The quantization of the eletromagnetic field allows one to consider the role of the natural line width, which becomes important near ressonance. In particular, it is analyzed the dependence of the line width with the magnetic field. This treatment includes the renormalization of the electron mass, which keeps the results finite when the cutoff goes to infinity. (Author) [pt
Role of electron-electron interactions in the RKKY theory of magnetism
International Nuclear Information System (INIS)
Cooke, J.F.
1978-10-01
The theory of magnetism in heavy rare earth metals is based on the RKKY theory. In this formalism the indirect exchange interaction between the local 4f spins is mediated by the conduction electrons. When carried to second order in the 4f-conduction electron interaction, traditional perturbation theory leads to a Heisenberg-like interaction between the local spins which depends on the electronic energy bands and 4f-conduction electron exchange matrix elements. This derivation neglects the detailed behavior of electron-electron interaction within the conduction band, which is known to be important in metallic systems. By using an equation of motion method, an expression for the inelastic neutron scattering cross-section has been derived which includes, in an approximate way, this electron-electron interaction. The results of this calculation indicate that spin-wave peaks can be broadened and shifted if the spin-wave band lies near the conduction electron Stoner continuum. The origin of this effect is similar to that found in itinerant electron systems where the spin-wave band actually intersects the Stoner continuum, resulting in the disappearance of the spin-wave mode
Role of electron-electron interactions in the RKKY theory of magnetism
International Nuclear Information System (INIS)
Cooke, J.F.
1979-01-01
The theory of magnetism in heavy rare earth metals is based on the RKKY theory. In this formalism the indirect exchange interaction between the local 4f spins is mediated by the conduction electrons. When carried to second order in the 4f-conduction electron interaction, traditional pertubation theory leads to a Heisenberg-like interaction between the local spins which depends on the electronic energy bands and 4f-conduction electron exchange matrix elements. This derivation neglects the detailed behavior of electron-electron interaction within the conduction band, which is known to be important in metallic systems. By using an equation of motion method, an expression for the inelastic neutron scattering cross-section has been derived which includes, in an approximate way, this electron-electron interaction. The results of this calculation indicate that spin-wave peaks can be broadened and shifted if the spin-wave band lies near the conduction electron Stoner continuum. The origin of this effect is similar to that found in itinerant electron systems where the spin-wave band actually intersects the Stoner continuum, resulting in the disappearance of the spin-wave mode
Kinetic Theory of Electronic Transport in Random Magnetic Fields
Lucas, Andrew
2018-03-01
We present the theory of quasiparticle transport in perturbatively small inhomogeneous magnetic fields across the ballistic-to-hydrodynamic crossover. In the hydrodynamic limit, the resistivity ρ generically grows proportionally to the rate of momentum-conserving electron-electron collisions at large enough temperatures T . In particular, the resulting flow of electrons provides a simple scenario where viscous effects suppress conductance below the ballistic value. This new mechanism for ρ ∝T2 resistivity in a Fermi liquid may describe low T transport in single-band SrTiO3 .
Pino, Maria Chiara; Mazza, Monica; Mariano, Melania; Peretti, Sara; Dimitriou, Dagmara; Masedu, Francesco; Valenti, Marco; Franco, Fabia
2017-01-01
Theory of mind (ToM) is impaired in individuals with autism spectrum disorders (ASD). The aims of this study were to: (i) examine the developmental trajectories of ToM abilities in two different mentalizing tasks in children with ASD compared to TD children; and (ii) to assess if a ToM simple test known as eyes-test could predict performance on…
International Nuclear Information System (INIS)
Itoh, Hiroyasu; Tomioka, Satoshi; Enoto, Takeaki
1994-01-01
Wave information about micro-pulses of electron beams is required in order to control an electron beam precisely, and it may be possible to obtain such information by analyzing the spectrum of the electromagnetic field created by a linac electron beam. In order to derive the spectrum, we measured the spatial distribution generated by a standing wave. Furthermore we calculated the transient electromagnetic field excited by a bunched electron beam, using the finite-difference time-domain (FD-TD) method, and compared two spectra in the frequency domain, into which the calculated value in time variation and the measured values in spatial variation are transformed by using the fast Fourier transform (FFT) respectively. (author)
International Nuclear Information System (INIS)
Hahm, T.S.
1990-12-01
Ion temperature gradient turbulence based transport models have difficulties reconciling the recent DIII-D H-mode results where the density profile is flat, but χ e > χ i in the core region. In this work, a nonlinear theory is developed for recently discovered ion temperature gradient trapped electron modes propagating in the electron diamagnetic direction. This instability is predicted to be linearly unstable for L Ti /R approx-lt κ θ ρ s approx-lt (L Ti /R) 1/4 . They are also found to be strongly dispersive even at these long wavelengths, thereby suggesting the importance of the wave-particle-wave interactions in the nonlinear saturation phase. The fluctuation spectrum and anomalous fluxes are calculated. In accordance with the trends observed in DIII-D, the predicted electron thermal diffusivity can be larger than the ion thermal diffusivity. 17 refs., 3 figs
Application of Macro Response Monte Carlo method for electron spectrum simulation
International Nuclear Information System (INIS)
Perles, L.A.; Almeida, A. de
2007-01-01
During the past years several variance reduction techniques for Monte Carlo electron transport have been developed in order to reduce the electron computation time transport for absorbed dose distribution. We have implemented the Macro Response Monte Carlo (MRMC) method to evaluate the electron spectrum which can be used as a phase space input for others simulation programs. Such technique uses probability distributions for electron histories previously simulated in spheres (called kugels). These probabilities are used to sample the primary electron final state, as well as the creation secondary electrons and photons. We have compared the MRMC electron spectra simulated in homogeneous phantom against the Geant4 spectra. The results showed an agreement better than 6% in the spectra peak energies and that MRMC code is up to 12 time faster than Geant4 simulations
Triple focussing electron spectrum selector (TESS-II) with a pair of sector magnets
International Nuclear Information System (INIS)
Nagai, Y.; Ejiri, H.; Shibata, T.; Okada, K.; Nakayama, S.; Suzuki, H.; Ohsumi, H.; Adachi, Y.; Osaka Univ., Toyonaka; Sakai, H.
1982-01-01
An achromatic geminate nuclear electron selector (AGNES) has been constructed for in-beam electron spectroscopy. It is essentially a pair of triple-focussing electron spectrum selectors (TESS). It consists of a pair of sector magnets with a field index n = 0. Conversion electrons emitted at 90 0 and 180 0 with respect to the beam axis are transported achromatically through the pair of sector magnets to two focussing points. Electrons are triply focussed in radial, vertical and momentum axes, and their energies are analyzed by cooled Si(Li) detectors. It has a large solid angle of 50 msr x 2 and a large momentum range of 57%. It is quite useful not only for measuring conversion coefficients and electron anisotropy but also for nuclear electron pairs. (orig.)
Quantum Kinetic Theory and Applications Electrons, Photons, Phonons
Vasko, Fedir T
2006-01-01
This lecture-style monograph is addressed to several categories of readers. First, it will be useful for graduate students studying theory. Second, the topics covered should be interesting for postgraduate students of various specializations. Third, the researchers who want to understand the background of modern theoretical issues in more detail can find a number of useful results here. The phenomena covered involve kinetics of electron, phonon, and photon systems in solids. The dynamical properties and interactions of electrons, phonons, and photons are briefly described in Chapter 1. Further, in Chapters 2-8, the authors present the main theoretical methods: linear response theory, various kinetic equations for the quasiparticles under consideration, and diagram technique. The presentation of the key approaches is always accompanied by solutions of concrete problems to illustrate ways to apply the theory. The remaining chapters are devoted to various manifestations of quantum transport in solids. The choice...
Field theory of the spinning electron: I - Internal motions
International Nuclear Information System (INIS)
Salesi, Giovanni; Recami, Erasmo; Universidade Estadual de Campinas, SP
1994-05-01
One of the most satisfactory picture of spinning particles is the Barut-Zanghi (BZ) classical theory for the relativistic electron, that relates the electron spin with the so-called Zitterbewegung (zbw). The BZ theory has been recently studied in the Lagrangian and Hamiltonian symplectic formulations, both in flat and in curved space-time. The BZ motion equations constituted the starting point for two recent works about spin and electron structure, co-authored by us, which adopted the Clifford algebra formalism. In this letter, by employing on the contrary the ordinary tensorial language, we first write down a meaningful (real) equation of motion, describing particle classical paths, quite different from the corresponding (complex) equation of the standard Dirac theory. As a consequence, we succeed in regarding the electron as an extended-type object with a classically intelligible structure (thus overcoming some long-standing, well-known problems). Second, we make explicit the kinematical properties of the 4-velocity field v μ , which also result to be quite different from the ordinary ones, valid for scalar particles. At last, we analyze the inner zbw motions, both time-like and light-like, as functions of the initial conditions (in particular, for the case of classical uniform motions, the z component of spin s is shown to be quantized). In so doing, we make explicit the strict correlation existing between electron polarization and zbw kinematics. (author). 9 refs
Variational methods in electron-atom scattering theory
Nesbet, Robert K
1980-01-01
The investigation of scattering phenomena is a major theme of modern physics. A scattered particle provides a dynamical probe of the target system. The practical problem of interest here is the scattering of a low energy electron by an N-electron atom. It has been difficult in this area of study to achieve theoretical results that are even qualitatively correct, yet quantitative accuracy is often needed as an adjunct to experiment. The present book describes a quantitative theoretical method, or class of methods, that has been applied effectively to this problem. Quantum mechanical theory relevant to the scattering of an electron by an N-electron atom, which may gain or lose energy in the process, is summarized in Chapter 1. The variational theory itself is presented in Chapter 2, both as currently used and in forms that may facilitate future applications. The theory of multichannel resonance and threshold effects, which provide a rich structure to observed electron-atom scattering data, is presented in Cha...
Field theory of the spinning electron: I - Internal motions
Energy Technology Data Exchange (ETDEWEB)
Salesi, Giovanni [Universita Statale di Catania (Italy). Dipt. di Fisica; Recami, Erasmo [Universita Statale di Bergamo, Dalmine, BG (Italy). Facolta di Ingegneria]|[Universidade Estadual de Campinas, SP (Brazil). Dept. de Matematica Aplicada
1994-05-01
One of the most satisfactory picture of spinning particles is the Barut-Zanghi (BZ) classical theory for the relativistic electron, that relates the electron spin with the so-called Zitterbewegung (zbw). The BZ theory has been recently studied in the Lagrangian and Hamiltonian symplectic formulations, both in flat and in curved space-time. The BZ motion equations constituted the starting point for two recent works about spin and electron structure, co-authored by us, which adopted the Clifford algebra formalism. In this letter, by employing on the contrary the ordinary tensorial language, we first write down a meaningful (real) equation of motion, describing particle classical paths, quite different from the corresponding (complex) equation of the standard Dirac theory. As a consequence, we succeed in regarding the electron as an extended-type object with a classically intelligible structure (thus overcoming some long-standing, well-known problems). Second, we make explicit the kinematical properties of the 4-velocity field v{sup {mu}}, which also result to be quite different from the ordinary ones, valid for scalar particles. At last, we analyze the inner zbw motions, both time-like and light-like, as functions of the initial conditions (in particular, for the case of classical uniform motions, the z component of spin s is shown to be quantized). In so doing, we make explicit the strict correlation existing between electron polarization and zbw kinematics. (author). 9 refs.
Variability of the Magnetic Field Power Spectrum in the Solar Wind at Electron Scales
Roberts, Owen Wyn; Alexandrova, O.; Kajdič, P.; Turc, L.; Perrone, D.; Escoubet, C. P.; Walsh, A.
2017-12-01
At electron scales, the power spectrum of solar-wind magnetic fluctuations can be highly variable and the dissipation mechanisms of the magnetic energy into the various particle species is under debate. In this paper, we investigate data from the Cluster mission’s STAFF Search Coil magnetometer when the level of turbulence is sufficiently high that the morphology of the power spectrum at electron scales can be investigated. The Cluster spacecraft sample a disturbed interval of plasma where two streams of solar wind interact. Meanwhile, several discontinuities (coherent structures) are seen in the large-scale magnetic field, while at small scales several intermittent bursts of wave activity (whistler waves) are present. Several different morphologies of the power spectrum can be identified: (1) two power laws separated by a break, (2) an exponential cutoff near the Taylor shifted electron scales, and (3) strong spectral knees at the Taylor shifted electron scales. These different morphologies are investigated by using wavelet coherence, showing that, in this interval, a clear break and strong spectral knees are features that are associated with sporadic quasi parallel propagating whistler waves, even for short times. On the other hand, when no signatures of whistler waves at ∼ 0.1{--}0.2{f}{ce} are present, a clear break is difficult to find and the spectrum is often more characteristic of a power law with an exponential cutoff.
Imaging Electron Dynamics with Ultrashort Light Pulses: A Theory Perspective
Directory of Open Access Journals (Sweden)
Daria Popova-Gorelova
2018-02-01
Full Text Available A wide range of ultrafast phenomena in various atomic, molecular and condense matter systems is governed by electron dynamics. Therefore, the ability to image electronic motion in real space and real time would provide a deeper understanding of such processes and guide developments of tools to control them. Ultrashort light pulses, which can provide unprecedented time resolution approaching subfemtosecond time scale, are perspective to achieve real-time imaging of electron dynamics. This task is challenging not only from an experimental view, but also from a theory perspective, since standard theories describing light-matter interaction in a stationary regime can provide erroneous results in an ultrafast case as demonstrated by several theoretical studies. We review the theoretical framework based on quantum electrodynamics, which has been shown to be necessary for an accurate description of time-resolved imaging of electron dynamics with ultrashort light pulses. We compare the results of theoretical studies of time-resolved nonresonant and resonant X-ray scattering, and time- and angle-resolved photoelectron spectroscopy and show that the corresponding time-resolved signals encode analogous information about electron dynamics. Thereby, the information about an electronic system provided by these time-resolved techniques is different from the information provided by their time-independent analogues.
Kinetic theory for electron dynamics near a positive ion
International Nuclear Information System (INIS)
Wrighton, Jeffrey M; Dufty, James W
2008-01-01
A theoretical description of time correlation functions for electron properties in the presence of a positive ion of charge number Z is given. The simplest case of an electron gas distorted by a single ion is considered. A semi-classical representation with a regularized electron–ion potential is used to obtain a linear kinetic theory that is asymptotically exact at short times. This Markovian approximation includes all initial (equilibrium) electron–electron and electron–ion correlations through renormalized pair potentials. The kinetic theory is solved in terms of single-particle trajectories of the electron–ion potential and a dielectric function for the inhomogeneous electron gas. The results are illustrated by a calculation of the autocorrelation function for the electron field at the ion. The dependence on charge number Z is shown to be dominated by the bound states of the effective electron–ion potential. On this basis, a very simple practical representation of the trajectories is proposed and shown to be accurate over a wide range including strong electron–ion coupling. This simple representation is then used for a brief analysis of the dielectric function for the inhomogeneous electron gas
A theory for the Langmuir waves in the electron foreshock
International Nuclear Information System (INIS)
Cairns, I.H.
1987-01-01
A theory for the Langmuir (L) waves observed in the electron foreshock is suggested. Free energy for the Langmuir wave growth is contained in cutoff distributions of energetic electrons streaming from the bow shock. These cutoff distributions drive Langmuir wave growth primarily by the kinetic version of the beam instability, and wave growth is limited by quasi-linear relaxation. The observed bump-on-tail electron distributions are interpreted as the remnants of cutoff distributions after quasi-linear relaxation has limited the wave growth. Only plausibility arguments for this theory are given since suitable treatments of quasi-linear relaxation are not presently available. However, it is shown that the wave processes L ± S → L' and L ± S → T (where S and T denote ion sound and transverse waves, respectively), refraction in steady-state density structures, diffusion due to interactions with ion sound turbulence, and effects due to wave convection and spatial gradients in the beam velocity, are unable to suppress the beam instability. The theory leads to natural interpretations of the Langmuir electric field waveforms observed and of the decrease in the Langmuir wave electric fields with increasing distance from the foreshock boundary. The theory for the beam instability is reviewed, and previous analytic and numerical treatments of the beam instability are related
Theory of electron-phonon-dislon interacting system—toward a quantized theory of dislocations
Li, Mingda; Tsurimaki, Yoichiro; Meng, Qingping; Andrejevic, Nina; Zhu, Yimei; Mahan, Gerald D.; Chen, Gang
2018-02-01
We provide a comprehensive theoretical framework to study how crystal dislocations influence the functional properties of materials, based on the idea of a quantized dislocation, namely a ‘dislon’. In contrast to previous work on dislons which focused on exotic phenomenology, here we focus on their theoretical structure and computational power. We first provide a pedagogical introduction that explains the necessity and benefits of taking the dislon approach and why the dislon Hamiltonian takes its current form. Then, we study the electron-dislocation and phonon-dislocation scattering problems using the dislon formalism. Both the effective electron and phonon theories are derived, from which the role of dislocations on electronic and phononic transport properties is computed. Compared with traditional dislocation scattering studies, which are intrinsically single-particle, low-order perturbation and classical quenched defect in nature, the dislon theory not only allows easy incorporation of quantum many-body effects such as electron correlation, electron-phonon interaction, and higher-order scattering events, but also allows proper consideration of the dislocation’s long-range strain field and dynamic aspects on equal footing for arbitrary types of straight-line dislocations. This means that instead of developing individual models for specific dislocation scattering problems, the dislon theory allows for the calculation of electronic structure and electrical transport, thermal transport, optical and superconducting properties, etc, under one unified theory. Furthermore, the dislon theory has another advantage over empirical models in that it requires no fitting parameters. The dislon theory could serve as a major computational tool to understand the role of dislocations on multiple materials’ functional properties at an unprecedented level of clarity, and may have wide applications in dislocated energy materials.
Fisher, Naomi; Happé, Francesca
2005-12-01
This study investigated the relationship between theory of mind and executive functioning in children with autistic spectrum disorders through a training study. Ten children were trained on theory of mind, whilst ten were trained in executive function. Seven children were assigned to a control group, receiving no intervention. Training programmes were administered individually, lasting for 25 minutes per day for 5-10 days. Children were tested before training, after training and at a two-month follow-up. Significant improvements were seen in performance on theory of mind tasks in both trained groups, whilst the control group showed no improvement. No improvement on the executive function tasks was seen in any of the groups. The implications of these findings are discussed.
The electron spectrum of UF6 recorded in the gas phase
Mârtensson, N.; Malmquist, P.-Å.; Svensson, S.; Johansson, B.
1984-06-01
Gas phase core and valence electron spectra from UF6, excited by AlKα monochromatized x rays, in the binding energy range 0-1000 eV are presented. It is shown that the AlKα excited valence electron spectrum can be used to reassign the highest occupied molecular orbital (HOMO) in UF6. Many-body effects on the core levels are discussed and core level lifetimes are determined. The shift between solid phase and gas phase electron binding energies for core lines is used to discuss the U5 f population in UF6.
Electronic spectrum of a deterministic single-donor device in silicon
International Nuclear Information System (INIS)
Fuechsle, Martin; Miwa, Jill A.; Mahapatra, Suddhasatta; Simmons, Michelle Y.; Hollenberg, Lloyd C. L.
2013-01-01
We report the fabrication of a single-electron transistor (SET) based on an individual phosphorus dopant that is deterministically positioned between the dopant-based electrodes of a transport device in silicon. Electronic characterization at mK-temperatures reveals a charging energy that is very similar to the value expected for isolated P donors in a bulk Si environment. Furthermore, we find indications for bulk-like one-electron excited states in the co-tunneling spectrum of the device, in sharp contrast to previous reports on transport through single dopants
International Nuclear Information System (INIS)
Adamyan, F.V.; Vartapetyan, G.A.; Galumyan, P.I.
1980-01-01
An automatic system for measurement, processing and control of energy spectrum of polarized photons realized at the Yerevan electron synchrotron is described. For measuring energy spectra of intensive high energy photon beams a pair spectrometer is used which comprises an aluminium target-converter, an analizing magnet and 2 telescopes of scintillation counters for electron-positron pairs registration. the procedure of spectra measurement by the pair spectrometer is reduced to determining the converted e + e - pairs yield at certain values of the H field intensity of the analizing magnet. An algorithm of the data express-processing for operative monitoring of peak energy stability of electron coherent radiation spectrum is given. The spectra measurement results obtained under real experimental conditions are presented
The matter power spectrum in redshift space using effective field theory
Fonseca de la Bella, Lucía; Regan, Donough; Seery, David; Hotchkiss, Shaun
2017-11-01
The use of Eulerian 'standard perturbation theory' to describe mass assembly in the early universe has traditionally been limited to modes with k lesssim 0.1 h/Mpc at z=0. At larger k the SPT power spectrum deviates from measurements made using N-body simulations. Recently, there has been progress in extending the reach of perturbation theory to larger k using ideas borrowed from effective field theory. We revisit the computation of the redshift-space matter power spectrum within this framework, including for the first time the full one-loop time dependence. We use a resummation scheme proposed by Vlah et al. to account for damping of baryonic acoustic oscillations due to large-scale random motions and show that this has a significant effect on the multipole power spectra. We renormalize by comparison to a suite of custom N-body simulations matching the MultiDark MDR1 cosmology. At z=0 and for scales k lesssim 0.4 h/Mpc we find that the EFT furnishes a description of the real-space power spectrum up to ~ 2%, for the l = 0 mode up to ~ 5%, and for the l = 2, 4 modes up to ~ 25%. We argue that, in the MDR1 cosmology, positivity of the l=0 mode gives a firm upper limit of k ≈ 0.74 h/Mpc for the validity of the one-loop EFT prediction in redshift space using only the lowest-order counterterm. We show that replacing the one-loop growth factors by their Einstein-de Sitter counterparts is a good approximation for the l=0 mode, but can induce deviations as large as 2% for the l=2, 4 modes. An accompanying software bundle, distributed under open source licenses, includes Mathematica notebooks describing the calculation, together with parallel pipelines capable of computing both the necessary one-loop SPT integrals and the effective field theory counterterms.
International Nuclear Information System (INIS)
Cai Yifu; Qiu Taotao; Brandenberger, Robert; Zhang Xinmin
2009-01-01
We study the cosmology of a Lee-Wick type scalar field theory. First, we consider homogeneous and isotropic background solutions and find that they are nonsingular, leading to cosmological bounces. Next, we analyze the spectrum of cosmological perturbations which result from this model. Unless either the potential of the Lee-Wick theory or the initial conditions are finely tuned, it is impossible to obtain background solutions which have a sufficiently long period of inflation after the bounce. More interestingly, however, we find that in the generic noninflationary bouncing cosmology, perturbations created from quantum vacuum fluctuations in the contracting phase have the correct form to lead to a scale-invariant spectrum of metric inhomogeneities in the expanding phase. Since the background is nonsingular, the evolution of the fluctuations is defined unambiguously through the bounce. We also analyze the evolution of fluctuations which emerge from thermal initial conditions in the contracting phase. The spectrum of gravitational waves stemming from quantum vacuum fluctuations in the contracting phase is also scale-invariant, and the tensor to scalar ratio is not suppressed.
Directory of Open Access Journals (Sweden)
R.M. Konik
2015-10-01
Full Text Available We study the SU(2k Wess–Zumino–Novikov–Witten (WZNW theory perturbed by the trace of the primary field in the adjoint representation, a theory governing the low-energy behavior of a class of strongly correlated electronic systems. While the model is non-integrable, its dynamics can be investigated using the numerical technique of the truncated conformal spectrum approach combined with numerical and analytical renormalization groups (TCSA+RG. The numerical results so obtained provide support for a semiclassical analysis valid at k≫1. Namely, we find that the low energy behavior is sensitive to the sign of the coupling constant, λ. Moreover, for λ>0 this behavior depends on whether k is even or odd. With k even, we find definitive evidence that the model at low energies is equivalent to the massive O(3 sigma model. For k odd, the numerical evidence is more equivocal, but we find indications that the low energy effective theory is critical.
Diffuse galactic continuum emission measured by COMPTEL and the cosmic-ray electron spectrum
Strong, A. W.; Diehl, R.; Schoenfelder, V.; Varendorff, M.; Youssefi, G.; Bloemen, H.; Hermsen, W.; De Vries, C.; Morris, D.; Stacy, J. G.
1994-01-01
Diffuse galactic continuum gamma-ray emission in the 0.75-30 MeV range from the inner Galaxy has been studied using data from COMPTEL on the Compton Gamma-Ray Observatory. Observations of the inner Galaxy from the Sky Survey have been used. The imaging properties of COMPTEL enable spatial analysis of the gamma-ray distribution using model fitting. A model based on atomic and molecular gas distributions in the Galaxy has been used to derive the emissivity spectrum of the gamma-ray emission and this spectrum is compared with theoretical estimates of bremsstrahlung emission from cosmic-ray electrons.
Mass spectrum in 5D Warped Einstein Universe and El Naschie's quantum golden field theory
International Nuclear Information System (INIS)
Dariescu, Marina-Aura; Dariescu, Ciprian; Pirghie, Ana-Camelia
2009-01-01
The present paper deals with the massive bosons evolving in a 5D manifold, where the four-dimensional slices are the S 3 xR spacetime. By solving the Einstein equations with a perfect fluid source, we find the expression of the warp factor and write down the corresponding Gordon equation in the bulk, near one of the degenerated vacua of an effective potential with a spontaneously broken Z 2 -symmetry. We obtain the general form of the wave functions and analyze how the Kaluza-Klein-type spectrum is affecting the mass of the scalar on the brane. By inspecting the mass spectrum, we point out a connection with the golden mean based El Naschie's field theory.
Entanglement spectrum and boundary theories with projected entangled-pair states
Energy Technology Data Exchange (ETDEWEB)
Cirac, Ignacio [Max-Planck-Institut fuer Quantenoptik, Garching (Germany); Poilblanc, Didier [Laboratoire de Physique Theorique, C.N.R.S. and Universite de Toulouse, Toulouse (France); Schuch, Norbert [California Institute of Technology, Pasadena, CA (United States); Verstraete, Frank [Vienna Univ. (Austria)
2012-07-01
In many physical scenarios, close relations between the bulk properties of quantum systems and theories associated to their boundaries have been observed. In this work, we provide an exact duality mapping between the bulk of a quantum spin system and its boundary using Projected Entangled Pair States (PEPS). This duality associates to every region a Hamiltonian on its boundary, in such a way that the entanglement spectrum of the bulk corresponds to the excitation spectrum of the boundary Hamiltonian. We study various models and find that a gapped bulk phase with local order corresponds to a boundary Hamiltonian with local interactions, whereas critical behavior in the bulk is reflected on a diverging interaction length of the boundary Hamiltonian. Furthermore, topologically ordered states yield non-local Hamiltonians. As our duality also associates a boundary operator to any operator in the bulk, it in fact provides a full holographic framework for the study of quantum many-body systems via their boundary.
Ward identities and mass spectrum of N=1 Super Yang-Mills theory on the lattice
International Nuclear Information System (INIS)
Kirchner, R.
2000-11-01
We study the lattice regularization of N=1 Super Yang-Mills theory. Projecting operators for the low-lying spectrum are discussed. We also consider a ''baryonic'' state consisting of three gluinos, and develop a numerical strategy to determine its mass in a Monte Carlo simulation. We present numerical results on the low-lying spectrum of SU(2) N=1 Super Yang-Mills theory with light dynamical gluinos. The lattice regularization of N=1 Super Yang-Mills theory breaks supersymmetry at any finite lattice spacing. We derive the form of the corresponding SUSY Ward identity and carry out renormalization. The ratios of the renormalization coefficients Z T /Z S and M R /Z S are determined non-perturbatively in a numerical simulation. The form of the renormalized SUSY Ward identity is confirmed numerically. We discuss how the SUSY Ward identity can be used to define a supersymmetric continuum limit, and how its approach can be monitored in numerical simulations. (orig.)
Alexander, LYSENKO; Iurii, VOLK
2018-03-01
We developed a cubic non-linear theory describing the dynamics of the multiharmonic space-charge wave (SCW), with harmonics frequencies smaller than the two-stream instability critical frequency, with different relativistic electron beam (REB) parameters. The self-consistent differential equation system for multiharmonic SCW harmonic amplitudes was elaborated in a cubic non-linear approximation. This system considers plural three-wave parametric resonant interactions between wave harmonics and the two-stream instability effect. Different REB parameters such as the input angle with respect to focusing magnetic field, the average relativistic factor value, difference of partial relativistic factors, and plasma frequency of partial beams were investigated regarding their influence on the frequency spectrum width and multiharmonic SCW saturation levels. We suggested ways in which the multiharmonic SCW frequency spectrum widths could be increased in order to use them in multiharmonic two-stream superheterodyne free-electron lasers, with the main purpose of forming a powerful multiharmonic electromagnetic wave.
Semiclassical theory of resonance inelastic electron-molecule collisions
International Nuclear Information System (INIS)
Kazanskij, A.K.
1986-01-01
Semiclassical approach to the theory of resonance electron-molecule collisions, unlocal with respect to interatomic distance was developed. Two problems were considered: modified adiabatic approach for sigle-pole approximation of R-matrix and Fano-Feshbach-Bardsley theory. It is shown that these problems are similar in semiclassical approximation. A simple equation system with coefficients expressed in quadratures was obtained. It enables to determine amplitudes of all processes (including dissociation adhesion, association ejection, free-free and free-bound transitions) in energetic representation with respect to nucleus vibrations in molecule with allowance for both descrete and continuous spectra of nucleus motion in molecule. Quantitative investigation of the system results to the notion of dynamic energy curve of intermediate state, generalizing the motion of such curve in boomerang theory
First Calorimetric Measurement of OI-line in the Electron Capture Spectrum of $^{163}$Ho
Ranitzsch, P. C. -O.; Wegner, M.; Kempf, S.; Fleischmann, A.; Enss, C.; Gastaldo, L.; Herlert, A.; Johnston, K.
2014-01-01
The isotope $^{163}$Ho undergoes an electron capture process with a recommended value for the energy available to the decay, $Q_{\\rm EC}$, of about 2.5 keV. According to the present knowledge, this is the lowest $Q_{\\rm EC}$ value for electron capture processes. Because of that, $^{163}$Ho is the best candidate to perform experiments to investigate the value of the electron neutrino mass based on the analysis of the calorimetrically measured spectrum. We present for the first time the calorimetric measurement of the atomic de-excitation of the $^{163}$Dy daughter atom upon the capture of an electron from the 5s shell in $^{163}$Ho, OI-line. The measured peak energy is 48 eV. This measurement was performed using low temperature metallic magnetic calorimeters with the $^{163}$Ho ion implanted in the absorber. We demonstrate that the calorimetric spectrum of $^{163}$Ho can be measured with high precision and that the parameters describing the spectrum can be learned from the analysis of the data. Finally, we dis...
International Nuclear Information System (INIS)
Skoblin, A.A.
1994-01-01
Free nonrelativistic electrons in both a static magnetic field and an electromagnetic wave are considered. A plane-polarized wave propagates along a magnetic field, its frequency is close to the electron rotation frequency in a magnetic field. Electron spin is taken into account. An electron quasi energy spectrum and steady states (quasi energy states) are constructed. 6 refs
Cerenkov light spectrum in an optical fiber exposed to a photon or electron radiation therapy beam
International Nuclear Information System (INIS)
Lambert, Jamil; Yin Yongbai; McKenzie, David R.; Law, Sue; Suchowerska, Natalka
2009-01-01
A Cerenkov signal is generated when energetic charged particles enter the core of an optical fiber. The Cerenkov intensity can be large enough to interfere with signals transmitted through the fiber. We determine the spectrum of the Cerenkov background signal generated in a poly(methyl methacrylate) optical fiber exposed to photon and electron therapeutic beams from a linear accelerator. This spectral measurement is relevant to discrimination of the signal from the background, as in scintillation dosimetry using optical fiber readouts. We find that the spectrum is approximated by the theoretical curve after correction for the wavelength dependent attenuation of the fiber. The spectrum does not depend significantly on the angle between the radiation beam and the axis of the fiber optic but is dependent on the depth in water at which the fiber is exposed to the beam.
Extreme Ultraviolet Emission Spectrum of CO_2 Induced by Electron Impact at 200 eV
Kanik, I.; Ajello, J. M.; James, G. K.
1993-01-01
We present the extreme ultraviolet (EUV) emission spectrum of CO_2 induced by electronimpact at 200 eV. There are 36 spectral features which are identified with a resolution of 0.5 nmover the wavelength range of 40 to 125 nm. Absolute emission cross sections were obtained for eachof these features. The EUV emission spectrum induced by electron impact consist of atomicmultiplets of CI,II and OI,II,III as well as CO and CO^+ molecular band systems produced bydissociative excitation. The CI (119.4 nm) multiplet is the strongest feature of CI with a peak crosssection of 3.61 x 10^(-19) cm^2 at 200 eV. The strongest feature of OI in the EUV spectrum is theOI (99.0 nm) multiplet with a peak cross section of 3.59 x 10^(-19) cm^2 at 200 eV.
The energy spectrum of cosmic-ray electrons measured with H.E.S.S
International Nuclear Information System (INIS)
Egberts, Kathrin
2009-01-01
The spectrum of cosmic-ray electrons has so far been measured using balloon and satellite-based instruments. At TeV energies, however, the sensitivity of such instruments is very limited due to the low flux of electrons at very high energies and small detection areas of balloon/satellite based experiments. The very large collection area of ground-based imaging atmospheric Cherenkov telescopes gives them a substantial advantage over balloon/ satellite based instruments when detecting very-high-energy electrons (> 300 GeV). By analysing data taken by the High Energy Stereoscopic System (H.E.S.S.), this work extends the known electron spectrum up to 4 TeV - a range that is not accessible to direct measurements. However, in contrast to direct measurements, imaging atmospheric Cherenkov telescopes such as H.E.S.S. detect air showers that cosmic-ray electrons initiate in the atmosphere rather than the primary particle. Thus, the main challenge is to differentiate between air showers initiated by electrons and those initiated by the hadronic background. A new analysis technique was developed that determines the background with the support of the machine-learning algorithm Random Forest. It is shown that this analysis technique can also be applied in other areas such as the analysis of diffuse γ rays from the Galactic plane. (orig.)
The energy spectrum of cosmic-ray electrons measured with H.E.S.S.
Energy Technology Data Exchange (ETDEWEB)
Egberts, Kathrin
2009-03-30
The spectrum of cosmic-ray electrons has so far been measured using balloon and satellite-based instruments. At TeV energies, however, the sensitivity of such instruments is very limited due to the low flux of electrons at very high energies and small detection areas of balloon/satellite based experiments. The very large collection area of ground-based imaging atmospheric Cherenkov telescopes gives them a substantial advantage over balloon/ satellite based instruments when detecting very-high-energy electrons (> 300 GeV). By analysing data taken by the High Energy Stereoscopic System (H.E.S.S.), this work extends the known electron spectrum up to 4 TeV - a range that is not accessible to direct measurements. However, in contrast to direct measurements, imaging atmospheric Cherenkov telescopes such as H.E.S.S. detect air showers that cosmic-ray electrons initiate in the atmosphere rather than the primary particle. Thus, the main challenge is to differentiate between air showers initiated by electrons and those initiated by the hadronic background. A new analysis technique was developed that determines the background with the support of the machine-learning algorithm Random Forest. It is shown that this analysis technique can also be applied in other areas such as the analysis of diffuse {gamma} rays from the Galactic plane. (orig.)
Electron-nuclear γ transition spectrum of a nucleus in a multicharged atomic ion
International Nuclear Information System (INIS)
Ivanov, L.N.; Letokhov, V.S.
1987-01-01
The nuclear emission of absorption spectrum of an atom possesses a set of electron satelites which are due to an alternation of the state of the electron shell. It is shown that the mechanism of formation of the satellites might be different for neutral atoms and high-charge ions. In the first case (loose electron shell) a ''shaking'' of the shell resulting from the interaction between the nucleus and γ quantum is predominant. In the second case (rigid electron shell) the mechanism involves a direct interaction between the γ quantum and electrons. The second mechanism is important in the case of dipole nuclear transitions and dominates at γ quantum energies p 2λ (λ is the nuclear transition multipole order, μ p ∼ 1/2 π is the relative proton mass and z the core mass). In the spectrum of the plasma source the electron satellites corresponding to the γ quantum emission and absorption lines are not overlapped by the Doppler contour of the γ line
The low-energy spectrum of (2, 0) theory on T5 x R
International Nuclear Information System (INIS)
Henningson, Maans
2008-01-01
We consider the ADE-series of (2, 0) supersymmetric quantum theories on T 5 x R, where the first factor is a flat spatial five-torus, and the second factor denotes time. The quantum states of such a theory Φ are characterized by a discrete quantum number f element of H 3 (T 5 , C), where the finite abelian group C is the center subgroup of the corresponding simply connected simply laced Lie group G. At energies that are low compared to the inverse size of the T 5 , the spectrum consists of a set of continua of states, each of which is characterized by the value of f and some number 5r of additional continuous parameters. By exploiting the interpretation of this theory as the ultraviolet completion of maximally supersymmetric Yang-Mills theory on T 4 x S 1 x R with gauge group G adj = G/C and coupling constant g given by the square root of the radius of the S 1 factor, one may compute the number N f r (Φ) of such continua. We perform these calculations in detail for the A- and D-series. While the Yang-Mills theory formalism is manifestly invariant under the SL 4 (Z) mapping class group of T 4 , the results are actually found to be invariant under the SL 5 (Z) mapping class group of T 5 , which provides a strong consistency check.
Many-electron effect in the resonant L23-M23V Auger-electron spectrum of Ti metal
International Nuclear Information System (INIS)
Ohno, Masahide
2006-01-01
Above the L23 absorption edge the L 23 -M 23 V resonant Auger-electron spectroscopy (RAES) spectrum of Ti metal shows a normal L 23 -M 23 V Auger decay spectrum at a constant kinetic energy (K.E.). Here LX and MY are the atomic shells Lx and My, respectively. Apart from a weak spectral feature of the L2-M23V Auger transition appearing around the L2 edge, the RAES spectra of Ti meal show a very little difference between the L2 and L3 regions [P. Le Fevre, J. Danger, H. Magnan, D. Chandesris, J. Jupille, S. Bourgeois, M.-A. Arrio, R. Gotter, A. Verdini, A. Morgante, Phys. Rev. B69 (2004) 155421]. It is shown that the time scale of relaxation of the resonantly excited L23-hole state to the L23-electron ionized state is much shorter than that of the L23-hole decay so that the L 23 -M 23 V RAES spectrum of Ti metal resembles much the normal L 23 -M 23 V Auger decay spectrum. The relaxation of the resonantly excited L23-hole state to the fully relaxed L23-hole state before the L23-hole decays, explains the extra width which is the primary cause of the discrepancy between the experimental high resolution near edge X-ray absorption spectroscopy (XAS) spectrum of Ti metal and the one calculated by the particle-hole Green's function including the Coulomb exchange interaction between the 2p hole and the 3d electron. The time scale of relaxation of the L3V two-hole state created by the L2-L3V Coster-Kronig (CK) decay to the single L3-hole state is much shorter than that of the L3-hole decay so that the L2-L3V-L3-M23V CK preceded Auger decay spectrum resembles much the L3-M23V Auger decay one
Preventing fetal alcohol spectrum disorders: the role of protection motivation theory.
Cismaru, Magdalena; Deshpande, Sameer; Thurmeier, Robin; Lavack, Anne M; Agrey, Noreen
2010-01-01
This article examines health communication campaigns aimed at preventing alcohol consumption among women who are pregnant or attempting to become pregnant. Relevant communication materials were gathered and a qualitative review was conducted. A majority of the campaigns followed the tenets of protection motivation theory by focusing on the threat variables of severity and vulnerability, as well as emphasizing response efficacy. Few campaigns focused on costs or self-efficacy. Future fetal alcohol spectrum disorders prevention initiatives should attempt to reduce perceived costs, as well as include self-efficacy messages in order to increase women's confidence that they can carry out the recommended actions.
Theory and Simulation of an Inverse Free Electron Laser Experiment
Guo, S. K.; Bhattacharjee, A.; Fang, J. M.; Marshall, T. C.
1996-11-01
An experimental demonstration of the acceleration of electrons using a high power CO2 laser in an inverse free electron laser (IFEL) is underway at the Brookhaven National Laboratory. This experiment has generated data, which we are attempting to simulate. Included in our studies are such effects as: a low-loss metallic waveguide with a dielectric coating on the walls; multi-mode coupling due to self-consistent interaction between the electrons and the optical wave; space charge (which is significant at lower laser power); energy-spread of the electrons; arbitrary wiggler field profile; and slippage. Two types of wiggler profile have been considered: a linear taper of the period, and a step-taper of the period (the period is ~ 3cm, the field is ~ 1T, and the wiggler length is 47cm). The energy increment of the electrons ( ~ 1-2%) is analyzed in detail as a function of laser power, wiggler parameters, and the initial beam energy (40MeV). For laser power ~ 0.5GW, the predictions of the simulations are in good accord with experimental results. A matter currently under study is the discrepancy between theory and observations for the electron energy distribution observed at the end of the IFEL. This work is supported by the Department of Energy.
A multipole acceptability criterion for electronic structure theory
International Nuclear Information System (INIS)
Schwegler, E.; Challacombe, M.; Head-Gordon, M.
1998-01-01
Accurate and computationally inexpensive estimates of multipole expansion errors are crucial to the success of several fast electronic structure methods. In this paper, a new nonempirical multipole acceptability criterion is described that is directly applicable to expansions of high order moments. Several model calculations typical of electronic structure theory are presented to demonstrate its performance. For cases involving small translation distances, accuracies are increased by up to five orders of magnitude over an empirical criterion. The new multipole acceptance criterion is on average within an order of magnitude of the exact expansion error. Use of the multipole acceptance criterion in hierarchical multipole based methods as well as in traditional electronic structure methods is discussed. copyright 1998 American Institute of Physics
Electron transfer dynamics: Zusman equation versus exact theory
International Nuclear Information System (INIS)
Shi Qiang; Chen Liping; Nan Guangjun; Xu Ruixue; Yan Yijing
2009-01-01
The Zusman equation has been widely used to study the effect of solvent dynamics on electron transfer reactions. However, application of this equation is limited by the classical treatment of the nuclear degrees of freedom. In this paper, we revisit the Zusman equation in the framework of the exact hierarchical equations of motion formalism, and show that a high temperature approximation of the hierarchical theory is equivalent to the Zusman equation in describing electron transfer dynamics. Thus the exact hierarchical formalism naturally extends the Zusman equation to include quantum nuclear dynamics at low temperatures. This new finding has also inspired us to rescale the original hierarchical equations and incorporate a filtering algorithm to efficiently propagate the hierarchical equations. Numerical exact results are also presented for the electron transfer reaction dynamics and rate constant calculations.
Energy spectrum of two-dimensional tight-binding electrons in a spatially varying magnetic field
International Nuclear Information System (INIS)
Oh, G.Y.; Lee, M.H.
1996-01-01
The electronic energy spectrum of a two-dimensional lattice in a spatially varying magnetic field is studied within the framework of the tight-binding model by using the scheme of the transfer matrix. It is found that, in comparison with the case of a uniform magnetic field, the energy spectrum exhibits more complicated behavior; band broadening (or gap closing) and band splitting (or gap opening) occur depending on characteristic parameters of the lattice. The origin of these phenomena lies in the existence of direct touching and indirect overlapping between neighboring subbands. Dependence of direct touching and indirect overlapping, and thus the electronic band structure together with the density of states, on characteristic parameters of the lattice is elucidated in detail. copyright 1996 The American Physical Society
International Nuclear Information System (INIS)
Barnes, T.; Daniell, G.J.
1982-09-01
A finite lattice technique is introduced for calculating the spectrum of fluctuating Bose theories in the continuum limit. The method gives the continuum spectrum to an estimated approximately 1% accuracy in (1+1) dimensions using available computer memory. The spectrum of lambda phi 4 theory in (1+1) dimensions is studied as a trial application; results are found consistent with a free theory spectrum. (author)
Evaluation of the theory of mind in autism spectrum disorders with the Strange Stories test
Directory of Open Access Journals (Sweden)
Renata de Lima Velloso
2013-11-01
Full Text Available Objective To evaluate the theory of mind in autism spectrum disorders (ASD and control individuals by applying the Strange Stories test that was translated and adapted to the Portuguese language. Method Twenty-eight children with ASD and 56 controls who were all male and aged between 6 and 12 years participated in the study. Results There were significant differences between the median scores of the groups for each of the 12 stories of the test and for the sum total of all the median scores. The median scores for all stories were significantly greater in the control group than those in the experimental group (children with ASD. In addition, the protocol had excellent internal consistency. Conclusion The theory of mind skills assessed with the Strange Stories test indicated alterations in children with ASD compared with children in the control group.
Performance of children with autism spectrum disorder on advanced theory of mind tasks.
Brent, Ella; Rios, Patricia; Happé, Francesca; Charman, Tony
2004-09-01
Although a number of advanced theory of mind tasks have been developed, there is sparse information on whether performance on different tasks is associated. The study examined the performance of 20 high-functioning 6- to 12-year-old children with autism spectrum disorder and 20 controls on three high-level theory of mind tasks: Strange Stories, Cartoons and the children's version of the Eyes task. The pattern of findings suggests that the three tasks may share differing, non-specific, information-processing requirements in addition to tapping any putative mentalizing ability. They may also indicate a degree of dissociation between social-cognitive and social-perceptual or affective components of the mentalizing system.
$SU(2)$ gauge theory with two fundamental flavours: scalar and pseudoscalar spectrum
Arthur, Rudy; Hietanen, Ari; Pica, Claudio; Sannino, Francesco
2016-01-01
We investigate the scalar and pseudoscalar spectrum of the $SU(2)$ gauge theory with $N_f=2$ flavours of fermions in the fundamental representation using non perturbative lattice simulations. We provide first benchmark estimates of the mass of the lightest $0(0^{+})$ ($\\sigma$), $0(0^{-})$ ($\\eta'$) and $1(0^+)$ ($a_0$) states, including estimates of the relevant disconnected contributions. We find $m_{a_0}/F_{\\rm{PS}}= 16.7(4.9)$, $m_\\sigma/F_{\\rm{PS}}=19.2(10.8)$ and $m_{\\eta'}/F_{\\rm{PS}} = 12.8(4.7)$. These values for the masses of light scalar states provide crucial information for composite extensions of the Standard Model from the unified Fundamental Composi te Higgs-Technicolor theory \\cite{Cacciapaglia:2014uja} to models of composite dark matter.
International Nuclear Information System (INIS)
Truten', V.I.
2000-01-01
On the base of the computer simulation method it is shown that new maxima of ultrarelativistic electron radiation spectrum in aligned crystals may appear in a low-frequency region together with the ordinary coherent maxima. The appearance of these maxima is the result of the high-index-crystal-plane effect. These maxima manifest themselves in spectral as well as in polarization features of radiation [ru
New measurements in plutonium L X ray emission spectrum using an electron probe micro-analyser
International Nuclear Information System (INIS)
Bobin, J.L.; Despres, J.
1966-01-01
Further studies by means of an electron-probe micro-analyser, allowed report CEA-R--1798 authors to set up a larger plutonium X ray spectrum table. Measurements of plutonium L II and L III levels excitation potentials have also been achieved. Some remarks about apparatus performance data (such as spectrograph sensibility, resolving power and accuracy) will be found in the appendix. (authors) [fr
On the continuous spectrum electromagnetic radiation in electron-fullerene collision
International Nuclear Information System (INIS)
Amusia, M.Y.
1995-01-01
It is demonstrated that the electromagnetic radiation spectrum in electron-fullerene collisions is dominated by a huge maximum of multielectron nature, similar to that already predicted and observed in photoabsorption. Due to coherence, the intensity of this radiation is much stronger than the sum of the intensities of isolated atoms. Experimental detection of such radiation would be of great importance for understanding the mechanism of its formation and for investigating fullerene structures. A paper describing these results was published
Contribution from individual nearby sources to the spectrum of high-energy cosmic-ray electrons
International Nuclear Information System (INIS)
Sedrati, R.; Attallah, R.
2014-01-01
In the last few years, very important data on high-energy cosmic-ray electrons and positrons from high-precision space-born and ground-based experiments have attracted a great deal of interest. These particles represent a unique probe for studying local comic-ray accelerators because they lose energy very rapidly. These energy losses reduce the lifetime so drastically that high-energy cosmic-ray electrons can attain the Earth only from rather local astrophysical sources. This work aims at calculating, by means of Monte Carlo simulation, the contribution from some known nearby astrophysical sources to the cosmic-ray electron/positron spectra at high energy (≥10GeV). The background to the electron energy spectrum from distant sources is determined with the help of the GALPROP code. The obtained numerical results are compared with a set of experimental data
Contribution from individual nearby sources to the spectrum of high-energy cosmic-ray electrons
Energy Technology Data Exchange (ETDEWEB)
Sedrati, R., E-mail: rafik.sedrati@univ-annaba.org; Attallah, R.
2014-04-01
In the last few years, very important data on high-energy cosmic-ray electrons and positrons from high-precision space-born and ground-based experiments have attracted a great deal of interest. These particles represent a unique probe for studying local comic-ray accelerators because they lose energy very rapidly. These energy losses reduce the lifetime so drastically that high-energy cosmic-ray electrons can attain the Earth only from rather local astrophysical sources. This work aims at calculating, by means of Monte Carlo simulation, the contribution from some known nearby astrophysical sources to the cosmic-ray electron/positron spectra at high energy (≥10GeV). The background to the electron energy spectrum from distant sources is determined with the help of the GALPROP code. The obtained numerical results are compared with a set of experimental data.
Efficiency calibration of electron spectrometers by the help of standard spectrum
International Nuclear Information System (INIS)
Toth, J.; Cserny, I.; Varga, D.; Koever, I.; Toekesi, K.
2004-01-01
Complete text of publication follows. For studying thin films and surface nanostructures quantitative analytical applications of electron spectroscopic techniques have a great importance. The most frequently used techniques are XPS, XAES and AES in quantitative surface electron spectroscopy. Applying these techniques changes in the detection efficiency vs. electron kinetic energy change the measured electron peak intensity ratios and in this way the neglect of the energy dependence of the spectrometer efficiency can influence surface atomic concentrations derived. The importance of the precise determination of the atomic concentrations is very crucial, especially in the determination of non-destructive depth profiles by the help of AR-XPS in which small changes in the relative concentrations can change dramatically the concentration depth profiles of a few nanometer depth ranges. In the present study the REELS technique was used to determine the relative detection efficiency by the help of a standard spectrum measured on the surface of fine microcrystalline Cu specimen. The experimental relative efficiency curves vs. electron kinetic energy were compared to the calculated efficiency curve. The efficiency calibration is discussed from the point of view of quantitative XPS, AR- XPS, AES and from the point of view of IMFP determination by XPS. The work was supported by the Hungarian National Science Foundation, OTKAT038016. For the Cu specimen and the standard spectrum the authors are indebted to the Sur- face Analysis Society of Japan, to Dr. Shigeo Tanuma and Professor Keisuke Goto (NIT). (author)
Time-resolved energy spectrum of a pseudospark-produced high-brightness electron beam
International Nuclear Information System (INIS)
Myers, T.J.; Ding, B.N.; Rhee, M.J.
1992-01-01
The pseudospark, a fast low-pressure gas discharge between a hollow cathode and a planar anode, is found to be an interesting high-brightness electron beam source. Typically, all electron beam produced in the pseudospark has the peak current of ∼1 kA, pulse duration of ∼50 ns, and effective emittance of ∼100 mm-mrad. The energy information of this electron beam, however, is least understood due to the difficulty of measuring a high-current-density beam that is partially space-charge neutralized by the background ions produced in the gas. In this paper, an experimental study of the time-resolved energy spectrum is presented. The pseudospark produced electron beam is injected into a vacuum through a small pinhole so that the electrons without background ions follow single particle motion; the beam is sent through a negative biased electrode and the only portion of beam whose energy is greater than the bias voltage can pass through the electrode and the current is measured by a Faraday cup. The Faraday cup signals with various bias voltage are recorded in a digital oscilloscope. The recorded waveforms are then numerically analyzed to construct a time-resolved energy spectrum. Preliminary results are presented
Quantum theory of the optical and electronic properties of semiconductors
Haug, Hartmut
2009-01-01
This invaluable textbook presents the basic elements needed to understand and research into semiconductor physics. It deals with elementary excitations in bulk and low-dimensional semiconductors, including quantum wells, quantum wires and quantum dots. The basic principles underlying optical nonlinearities are developed, including excitonic and many-body plasma effects. Fundamentals of optical bistability, semiconductor lasers, femtosecond excitation, the optical Stark effect, the semiconductor photon echo, magneto-optic effects, as well as bulk and quantum-confined Franz-Keldysh effects, are covered. The material is presented in sufficient detail for graduate students and researchers with a general background in quantum mechanics.This fifth edition includes an additional chapter on 'Quantum Optical Effects' where the theory of quantum optical effects in semiconductors is detailed. Besides deriving the 'semiconductor luminescence equations' and the expression for the stationary luminescence spectrum, the resu...
Colmenero, Francisco; Cobos, Joaquín; Timón, Vicente
2018-04-16
The structure and Raman spectrum of schoepite mineral, [(UO 2 ) 8 O 2 (OH) 12 ]·12H 2 O, was studied by means of theoretical calculations. The computations were carried out by using density functional theory with plane waves and pseudopotentials. A norm-conserving pseudopotential specific for the U atom developed in a previous work was employed. Because it was not possible to locate H atoms directly from X-ray diffraction (XRD) data by structure refinement in previous experimental studies, all of the positions of the H atoms in the full unit cell were determined theoretically. The structural results, including the lattice parameters, bond lengths, bond angles, and powder XRD pattern, were found to be in good agreement with their experimental counterparts. However, the calculations performed using the unit cell designed by Ostanin and Zeller in 2007, involving half of the atoms of the full unit cell, led to significant errors in the computed powder XRD pattern. Furthermore, Ostanin and Zeller's unit cell contains hydronium ions, H 3 O + , which are incompatible with the experimental information. Therefore, while the use of this schoepite model may be a very useful approximation requiring a much smaller amount of computational effort, the full unit cell should be used to study this mineral accurately. The Raman spectrum was also computed by means of density functional perturbation theory and compared with the experimental spectrum. The results were also in agreement with the experimental data. A normal-mode analysis of the theoretical spectra was performed to assign the main bands of the Raman spectrum. This assignment significantly improved the current empirical assignment of the bands of the Raman spectrum of schoepite mineral. In addition, the equation of state and elastic properties of this mineral were determined. The crystal structure of schoepite was found to be stable mechanically and dynamically. Schoepite can be described as a brittle material exhibiting
Energy Technology Data Exchange (ETDEWEB)
Ismayilova, N. A., E-mail: ismayilova-narmin-84@mail.ru; Orudjev, H. S.; Jabarov, S. H. [Azerbaijan National Academy of Sciences, Institute of Physics (Azerbaijan)
2017-04-15
The results of ab initio calculations of the electron spectrum of TlFeS{sub 2} and TlFeSe{sub 2} crystals in the antiferromagnetic phase are reported. Calculations are carried out in the context of the density functional theory. The origin of the bands of s, p, and d electron states of Tl, Fe, S, and Se atoms is studied. It is established that, in the antiferromagnetic phase, the crystals possess semiconductor properties. The band gaps are found to be 0.05 and 0.34 eV for TlFeS{sub 2} and TlFeSe{sub 2} crystals, respectively.
A quantum field theory of the extended electron
International Nuclear Information System (INIS)
Salesi, Giovanni; Recami, Erasmo; Universidade Estadual de Campinas, SP
1993-12-01
In a recent paper, the classical model of Barut and Zanghi (BZ) for the electron spin which interpreted the Zitterbewegung (zbw) motion along helical paths and its quantum version have been investigated by using the language of Clifford algebras. In also doing, a new non-linear Dirac-like equation (NDE) was derived. We want to readdress the whole subject, and complete it, by adopting - for the sake of physical clarity - the ordinary tensorial language. In particular, we re-derive here the NDE for the electron quantum field, show it to be associated with a new conserved probability current, and stress its importance for a quantum field theory of spin 1/2 fermions. Actually, we propose this equation in substitution for the Dirac equation, which comes from the former by averaging over a zbw cycle. We then derive a new equation of motion for the quantum field velocity, which will allow us to regard the electron as an extended object, with a classically intelligible internal structure (thus overcoming some known, long-standing problems). We carefully the solutions of the NDE; with special attention to those implying (at the classical limit) light-like helical motions, since these appear to be the most adequate equations for the electron description, from the kinematical and physical points of view, and do cope with the electron electromagnetic properties (such as Coulomb field and intrinsic magnetic moment). (author). 18 refs
A quantum field theory of the extended electron
Energy Technology Data Exchange (ETDEWEB)
Salesi, Giovanni [Universita Statale di Catania (Italy). Dipt. di Fisica; Recami, Erasmo [Universita Statale di Bergamo, Dalmine, BG (Italy). Facolta di Ingegneria; [Universidade Estadual de Campinas, SP (Brazil). Dept. de Matematica Aplicada
1993-12-01
In a recent paper, the classical model of Barut and Zanghi (BZ) for the electron spin which interpreted the Zitterbewegung (zbw) motion along helical paths and its quantum version have been investigated by using the language of Clifford algebras. In also doing, a new non-linear Dirac-like equation (NDE) was derived. We want to readdress the whole subject, and complete it, by adopting - for the sake of physical clarity - the ordinary tensorial language. In particular, we re-derive here the NDE for the electron quantum field, show it to be associated with a new conserved probability current, and stress its importance for a quantum field theory of spin 1/2 fermions. Actually, we propose this equation in substitution for the Dirac equation, which comes from the former by averaging over a zbw cycle. We then derive a new equation of motion for the quantum field velocity, which will allow us to regard the electron as an extended object, with a classically intelligible internal structure (thus overcoming some known, long-standing problems). We carefully the solutions of the NDE; with special attention to those implying (at the classical limit) light-like helical motions, since these appear to be the most adequate equations for the electron description, from the kinematical and physical points of view, and do cope with the electron electromagnetic properties (such as Coulomb field and intrinsic magnetic moment). (author). 18 refs.
On the field theory of the extended-type electron
International Nuclear Information System (INIS)
Salesi, G.; Recami, E.
1994-07-01
In a recent paper, the classical theory of Barut and Zhanghi (BZ) for the electron spin [which interpreted the Zitterbewegung (zbw) motion as an internal motion along helical paths] and its ''quantum'' version have been investigated by using the language of Clifford algebras. In so doing, a new non-linear Dirac-like equation (NDE) was derived. We want to readdress the whole subject, and ''complete'' it, by adopting - for the sake of physical clarity - the ordinary tensorial language, within the frame of a first quantization formalism. In particular, we re-derive here the NDE for the electron field, show it to be associated with a new conserved probability current which allows us to work out a quantum probability interpretation of NDE. Actually, we propose this equation in substitution for the Dirac equation, which is obtained from the former by averaging over a zbw cycle. We then derive a new equation of motion for the 4-velocity field which will allow us to regard the electron as an extended object with a classically intelligible internal structure (thus overcoming some known, long-standing problems). We carefully study the solutions of the NDE; with special attention to those implying (at the classical limit) light-like helical motions, since they appear to be the most adequate solutions for the electron description from a kinematical and physical point of view, and to cope with the electromagnetic properties of the electron. (author). 18 refs
Hot electron effects on the satellite spectrum of laser-produced plasmas
Energy Technology Data Exchange (ETDEWEB)
Abdallah, J. [Los Alamos National Laboratory, PO Box 1663, Los Alamos, NM (United States); Faenov, A.Y.; Pikuz, T.A. [MISDC, NPO ' VNIIFTRI' , Mendeleevo, Moscow Region, 141570 (Russian Federation); Wilke, M.D.; Kyrala, G.A.; Clark, R.E.H. [Los Alamos National Laboratory, PO Box 1663, Los Alamos, NM (United States)
1999-05-01
In laser-produced plasmas, the interaction of the intense laser light with plasma electrons can produce high-energy superthermal electrons with energies in the keV range. These hot electrons can influence the level populations which determine spectral line structure. In the present paper, the effect of hot electrons on the X-ray satellite spectrum of laser-produced plasmas is studied. Calculated spectra are compared with experimental observations. Magnesium targets irradiated by three different types of laser pulses are considered. These include, a high-intensity 600 fs Nd-glass laser, a 1 ns Nd-glass laser, and a 2ns CO{sub 2} laser. The Nd-glass laser experiments were conducted recently at the Los Alamos Trident Facility and the CO{sub 2} data were recorded by MISDC. High-resolution spectra were measured near the He-like resonance line of magnesium. The calculations employ an electron energy distribution which includes a thermal and a hot electron component, as part of a detailed collisional-radiative model. Plasma parameters including electron temperature, density, and hot electron fraction are estimated by choosing best fits to the experimental measurements. The calculations show that hot electrons can cause several anomalous effects. The Li-like jkl, abcd, and qr satellites can show intensities which are generally attributed to electron densities in excess of 10{sup 23} cm{sup -3}. In addition, the relative amplitude of the intercombination line can be unusually large even at high electron densities due to enhanced collisional excitation of the 1s2p{sup 3}P state by hot electrons. (Copyright (c) 1999 Elsevier Science B.V., Amsterdam. All rights reserved.)
Quantum chaos theory and the spectrum of ideal-MHD instabilities in toroidal plasmas
International Nuclear Information System (INIS)
Dewar, Robert L.; Carolin, Nuehrenberg; Tatsuno, Tomoya
2004-01-01
In a fully 3-D system such as a stellarator, the toroidal mode number n ceases to be a good quantum number - all ns within a given mode family being coupled. It is found that the discrete spectrum of unstable ideal MHD (magnetohydrodynamic) instabilities ceases to exist unless MHD is modified (regularized) by introducing a short-perpendicular-wavelength cutoff. Attempts to use ray tracing to estimate the regularized MHD spectrum fail due to the occurrence of chaotic ray trajectories. In quantum chaos theory, strong chaos in the semiclassical limit leads to eigenvalue statistics the same as those of a suitable ensemble of random matrices. For instance, the probability distribution function for the separation between neighboring eigenvalues is as derived from random matrix theory and goes to zero at zero separation. This contrasts with the Poissonian distribution found in separable systems, showing that a signature of quantum chaos is level repulsion. In order to determine whether eigenvalues of the regularized MHD problem obey the same statistics as those of the Schroedinger equation in both the separable 1-D case and the chaotic 3-D cases, we have assembled data sets of ideal MHD eigenvalues for a Suydam-unstable cylindrical (1-D) equilibrium using Mathematica and a Mercier-unstable (3-D) equilibrium using the CAS3D code. In the 1-D case, we find that the unregularized Suydam-approximation spectrum has an anomalous peak at zero eigenvalue separation. On the other hand, regularization by restricting the domain of κsub(perpendicular) recovers the expected Poissonian distribution. In the 3-D case we find strong evidence of level repulsion within mode families, but mixing mode families produces Poissonian statistics. (author)
Quantum theory of the electronic and optical properties of low-dimensional semiconductor systems
Lau, Wayne Heung
This thesis examines the electronic and optical properties of low-dimensional semiconductor systems. A theory is developed to study the electron-hole generation-recombination process of type-II semimetallic semiconductor heterojunctions based on a 3 x 3 k·p matrix Hamiltonian (three-band model) and an 8 x 8 k·p matrix Hamiltonian (eight-band model). A novel electron-hole generation and recombination process, which is called activationless generation-recombination process, is predicted. It is demonstrated that the current through the type-II semimetallic semiconductor heterojunctions is governed by the activationless electron-hole generation-recombination process at the heterointerfaces, and that the current-voltage characteristics are essentially linear. A qualitative agreement between theory and experiments is observed. The numerical results of the eight-band model are compared with those of the threeband model. Based on a lattice gas model, a theory is developed to study the influence of a random potential on the ionization equilibrium conditions for bound electron-hole pairs (excitons) in III--V semiconductor heterostructures. It is demonstrated that ionization equilibrium conditions for bound electron-hole pairs change drastically in the presence of strong disorder. It is predicted that strong disorder promotes dissociation of excitons in III--V semiconductor heterostructures. A theory of polariton (photon dressed by phonon) spontaneous emission in a III--V semiconductor doped with semiconductor quantum dots (QDs) or quantum wells (QWs) is developed. For the first time, superradiant and subradiant polariton spontaneous emission phenomena in a polariton-QD (QW) coupled system are predicted when the resonance energies of the two identical QDs (QWs) lie outside the polaritonic energy gap. It is also predicted that when the resonance energies of the two identical QDs (QWs) lie inside the polaritonic energy gap, spontaneous emission of polariton in the polariton
Allowance for change in the solvent frequency spectrum in the theory of nonadiabatic transitions
International Nuclear Information System (INIS)
Ponomarev, O.A.; Khabibullin, R.M.
1989-01-01
An explicit expression is obtained for the correlation function of a vibrational subsystem that takes into account memory of the state of the electron subsystem. The correlation function is represented in terms of the retarded Green's functions of the vibrational subsystem for different electron states. The singular equation for the correlation function are solved by reducing them to a canonical system and to the Riemann problem of the jump of a vector function with subsequent nonlinear factorization. This made it possible to solve exactly the problem for an arbitrary initial correlation function and calculate the effect that a change in the frequency spectrum of the solvent has on the process rate constant in the case of a nonradiative transition
International Nuclear Information System (INIS)
Sahani, P.K.; Dev, Vipin; Haridas, G.; Thakkar, K.K.; Singh, Gurnam; Sarkar, P.K.; Sharma, D.N.
2009-01-01
INDUS-2 is a high energy electron accelerator facility where electrons are accelerated in circular ring up to maximum energy 2.5 GeV, to generate synchrotron radiation. During normal operation of the machine a fraction of these electrons is lost, which interact with the accelerator structures and components like vacuum chamber and residual gases in the cavity and hence generates significant amount of Bremsstrahlung radiation. The Bremsstrahlung radiation is highly dependent on the incident electron energy, target material and its thickness. The Bremsstrahlung radiation dominates the radiation environment in such electron storage rings. Because of its broad spectrum extending up to incident electron energy and pulsed nature, it is very difficult to segregate the Bremsstrahlung component from the mixed field environment in accelerators. With the help of FLUKA Monte Carlo code, Bremsstrahlung spectrum generated from 2.5 GeV electron on bombardment of high Z lead target is simulated. To study the variation in Bremsstrahlung spectrum on target thickness, lead targets of 3, 6, 9, 12, 15, 18 mm thickness was used. The energy spectrum of emerging electron and positron is also simulated. The study suggests that as the target thickness increases, the emergent Bremsstrahlung photon fluence increases. With increase in the target thickness Bremsstrahlung photons in the spectrum dominate the low energy part and degrade in high energy part. The electron and positron spectra also extend up to incident electron energy. (author)
A model for hot electron phenomena: Theory and general results
International Nuclear Information System (INIS)
Carrillo, J.L.; Rodriquez, M.A.
1988-10-01
We propose a model for the description of the hot electron phenomena in semiconductors. Based on this model we are able to reproduce accurately the main characteristics observed in experiments of electric field transport, optical absorption, steady state photoluminescence and relaxation process. Our theory does not contain free nor adjustable parameters, it is very fast computerwise, and incorporates the main collision mechanisms including screening and phonon heating effects. Our description on a set of nonlinear rate equations in which the interactions are represented by coupling coefficients or effective frequencies. We calculate three coefficients from the characteristic constants and the band structure of the material. (author). 22 refs, 5 figs, 1 tab
Theory of many-electron atoms. Selected papers
International Nuclear Information System (INIS)
Jucys, A.P.
1978-01-01
Selected papers of the founder of contemporary theoretical physics in Lithuania Adolfas Jucys on the theory of many-electron atoms and their spectra are presented, as well as a complete bibliography of his scientific works, a brief biographical essay and description of his scientific and social activities, reminiscences of other scientists about him. In these papers such questions are considered: Fock's self-consistent field in different approximations, various problems of the many-configurational approximation, incomplete separation of variables, expanded calculation method, application of nonorthogonal radial orbitals, method of irreducible tensor operators, graphical representation of the matrix elements and a number of other problems
Quantum theory of the optical and electronic properties of semiconductors
Haug, Hartmut
1990-01-01
The current technological revolution in the development of computing devices has created a demand for a textbook on the quantum theory of the electronic and optical properties of semiconductors and semiconductor devices. This book successfully fulfills this need. Based on lectures given by the authors, it is a comprehensive introduction for researchers or graduate-level students to the subject. Certain sections can also serve as a graduate-level textbook for use in solid state physics courses or for more specialized courses. The final chapters establish a direct link to current research in sem
Strongly correlated electron materials. I. Theory of the quasiparticle structure
International Nuclear Information System (INIS)
Lopez-Aguilar, F.; Costa-Quintana, J.; Puig-Puig, L.
1993-01-01
In this paper we give a method for analyzing the renormalized electronic structure of the Hubbard systems. The first step is the determination of effective interactions from the random-phase approximation (RPA) and from an extended RPA (ERPA) that introduces vertex effects within the bubble polarization. The second step is the determination of the density of states deduced from the spectral functions. Its analysis leads us to conclude that these systems can exhibit three types of resonances in their electronic structures: the lower-, middle-, and upper-energy resonances. Furthermore, we analyze the conditions for which there is only one type of resonance and the causes that lead to the disappearance of the heavy-fermion state. We finally introduce the RPA and ERPA effective interactions within the strong-coupling theory and we give the conditions for obtaining coupling and superconductivity
Introduction to the theory of free electron lasers
International Nuclear Information System (INIS)
Krinsky, S.
1985-01-01
We present an introduction to some fundamental aspects of the theory of free electron lasers. Spontaneous radiation emitted by electrons traversing a wiggler magnet is briefly reviewed, and stimulated emission in the low-gain regime is discussed using Colson's pendulum equations and Madey's theorems. The high-gain regime is treated by an extention of the work of Bonifacio, Pellegrini, and Narducci. We introduce dynamical variables to describe the radiation field, and a Hamiltonian formulation of Maxwell's equations is employed. A canonical transformation to the interaction representation factors out the fast time variation of the radiation field, and the slow time dependence is determined by linearized equations for the appropriate collective variables. As an application of this technique we consider self-amplified spontaneous radiation, and we comment upon the relationship between our approach and the use of coupled Vlasov-Maxwell equations
Electron-Cloud Build-Up: Theory and Data
International Nuclear Information System (INIS)
Furman, M.A.
2010-01-01
We present a broad-brush survey of the phenomenology, history and importance of the electron-cloud effect (ECE). We briefly discuss the simulation techniques used to quantify the electron-cloud (EC) dynamics. Finally, we present in more detail an effective theory to describe the EC density build-up in terms of a few effective parameters. For further details, the reader is encouraged to refer to the proceedings of many prior workshops, either dedicated to EC or with significant EC contents, including the entire 'ECLOUD' series. In addition, the proceedings of the various flavors of Particle Accelerator Conferences contain a large number of EC-related publications. The ICFA Beam Dynamics Newsletter series contains one dedicated issue, and several occasional articles, on EC. An extensive reference database is the LHC website on EC.
General theory for environmental effects on (vertical) electronic excitation energies.
Schwabe, Tobias
2016-10-21
Almost 70 years ago, the first theoretical model for environmental effects on electronic excitation energies has been derived. Since then, several different interpretations and refined models have been proposed for the perichromic shift of a chromophore due to its surrounding medium. Some of these models are contradictory. Here, the contributing terms are derived within the framework of long-range perturbation theory with the least approximations so far. The derivation is based on a state-specific interpretation of the interaction energies and all terms can be identified with individual properties of either the chromophore or the surroundings, respectively. Further, the much debated contribution due to transition moments coupled to the environment can be verified in the form of a non-resonant excitonic coupling to the dynamic polarizabilities in the environment. These general insights should clarify discussions and interpretations of environmental effects on electronic excitations and should foster the development of new models for the computation of these effects.
Implications of the cosmic ray electron spectrum and anisotropy measured with Fermi-LAT
Energy Technology Data Exchange (ETDEWEB)
Di Bernardo, Giuseppe [Gothenburg Univ. (Sweden). Dept. of Physics; Evoli, Carmelo [SISSA, Trieste (Italy); Gaggero, Daniele; Grasso, Dario [Pisa Univ. (Italy). Dipt. die Fisica; INFN, Pisa (Italy); Maccione, Luca [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Mazziotta, Mario Nicola [Istituto Nazionale di Fisica Nucleare, Bari (Italy)
2010-11-15
The Fermi Large Area Telescope (LAT) collaboration recently released the updated results of the measurement of the cosmic ray electron (CRE) spectrum and published its first constraints on the CRE anisotropy. With respect to the previous Fermi-LAT results, the CRE spectrum measurement was extended down from 20 to 7 GeV, thus providing a better lever arm to discriminate theoretical models. Here we show that the new data strengthen the evidence for the presence of two distinct electron and positron spectral components. Furthermore, we show that under such hypothesis most relevant CRE and positron data sets are remarkably well reproduced. Consistent fits of cosmic-ray nuclei and antiproton data, which are crucial to validate the adopted propagation setup(s) and to fix the solar modulation potential, are obtained for the Kraichnan and plain-diffusion propagation setups, while the Kolmogorov one is disfavored. We then confirm that nearby pulsars are viable source candidates of the required e{sup {+-}} extra-component. In that case, we show that the predicted CRE anisotropy is compatible with Fermi-LAT constraints and that a positive detection should be at hand of that observatory. Models assuming that only nearby supernova remnants contribute to the high energy tail of the observed CRE spectrum are in contrast with anisotropy limits. (orig.)
Can Bayesian Theories of Autism Spectrum Disorder Help Improve Clinical Practice?
Haker, Helene; Schneebeli, Maya; Stephan, Klaas Enno
2016-01-01
Diagnosis and individualized treatment of autism spectrum disorder (ASD) represent major problems for contemporary psychiatry. Tackling these problems requires guidance by a pathophysiological theory. In this paper, we consider recent theories that re-conceptualize ASD from a "Bayesian brain" perspective, which posit that the core abnormality of ASD resides in perceptual aberrations due to a disbalance in the precision of prediction errors (sensory noise) relative to the precision of predictions (prior beliefs). This results in percepts that are dominated by sensory inputs and less guided by top-down regularization and shifts the perceptual focus to detailed aspects of the environment with difficulties in extracting meaning. While these Bayesian theories have inspired ongoing empirical studies, their clinical implications have not yet been carved out. Here, we consider how this Bayesian perspective on disease mechanisms in ASD might contribute to improving clinical care for affected individuals. Specifically, we describe a computational strategy, based on generative (e.g., hierarchical Bayesian) models of behavioral and functional neuroimaging data, for establishing diagnostic tests. These tests could provide estimates of specific cognitive processes underlying ASD and delineate pathophysiological mechanisms with concrete treatment targets. Written with a clinical audience in mind, this article outlines how the development of computational diagnostics applicable to behavioral and functional neuroimaging data in routine clinical practice could not only fundamentally alter our concept of ASD but eventually also transform the clinical management of this disorder.
Self-Esteem, Internalizing Symptoms, and Theory of Mind in Youth With Autism Spectrum Disorder.
McCauley, James B; Harris, Michelle A; Zajic, Matthew C; Swain-Lerro, Lindsay E; Oswald, Tasha; McIntyre, Nancy; Trzesniewski, Kali; Mundy, Peter; Solomon, Marjorie
2017-10-19
Self-esteem is a potent indicator of mental health in typically developing (TYP) individuals. It is surprising that there have been few comprehensive investigations of self-esteem in children and adolescents with autism spectrum disorder (ASD), given that they are at high risk for comorbid mental health problems, such as depression and anxiety. The objectives of the current study were to assess how youth with ASD rate their self-esteem compared to age-matched TYP youth and to examine how self-esteem relates to internalizing psychopathology and theory of mind in the two groups. Seventy-three children and adolescents, ages 9 to 17, were administered a battery of questionnaires assessing self-esteem and internalizing symptoms, as well as tasks designed to measure theory of mind. Results indicated that youth with ASD rated their self-esteem significantly lower than did TYP youth. Self-esteem was strongly related to depression in both groups but was negatively related to theory of mind only for youth with ASD. These results may provide important insights into how individuals with ASD form evaluations of their own self-worth and illustrate how increasing self-awareness in individuals with ASD is not without risks.
Theory of magnetostriction of electron-hole drops in Ge
International Nuclear Information System (INIS)
Markiewicz, R.S.
1978-01-01
A large mass of electron-hole liquid (γ drop) formed in a strain-induced potential well in Ge is known to distort its shape significantly in a magnetic field B > or approx. = 1 kG. It is shown in this paper that the shape change can be understood in detail as due to a ''recombination current'' of electron-hole pairs needed to replace those pairs which recombine in the drop volume. The Lorentz force deflects this current and produces a macroscopic dipole current loop inside the drop. The drop then changes shape to minimize its total energy, including magnetic, strain, and surface energies. While the drop usually flattens along the field direction, both para- and diamagnetic effects (elongated drops) are found to be possible, depending on excitation conditions, in accord with experiment. Similar effects are predicted to occur in small drops in unstrained Ge. This paper presents a magnetohydrodynamic theory of the magnetostriction which takes into account density variations which occur in the strain well and in high magnetic fields. A simpler theory is given for the special case in which the drop may be considered incompressible (small drops and moderate fields). Effects of carrier mass anisotropy and fluid viscosity are taken into consideration
Dual structure in the charge excitation spectrum of electron-doped cuprates
Bejas, Matías; Yamase, Hiroyuki; Greco, Andrés
2017-12-01
Motivated by the recent resonant x-ray scattering (RXS) and resonant inelastic x-ray scattering (RIXS) experiments for electron-doped cuprates, we study the charge excitation spectrum in a layered t -J model with the long-range Coulomb interaction. We show that the spectrum is not dominated by a specific type of charge excitations, but by different kinds of charge fluctuations, and is characterized by a dual structure in the energy space. Low-energy charge excitations correspond to various types of bond-charge fluctuations driven by the exchange term (J term), whereas high-energy charge excitations are due to usual on-site charge fluctuations and correspond to plasmon excitations above the particle-hole continuum. The interlayer coupling, which is frequently neglected in many theoretical studies, is particularly important to the high-energy charge excitations.
International Nuclear Information System (INIS)
Naumis, Gerardo G.; Lopez-Rodriguez, F.J.
2008-01-01
We show that an electronic tight-binding Hamiltonian, defined in a quasiperiodic chain with an on-site potential given by a Fibonacci sequence, can be obtained using a superposition of Harper potentials. Since the spectrum of the Harper equation as a function of the magnetic flux is a fractal set, known as the Hofstadter butterfly, we follow the transformation of the butterfly to a new one that contains the Fibonacci potential and related approximants. As a result, the equation in reciprocal space for the Fibonacci case has the form of a chain with long range interaction between Fourier components. Then, the structure of the resulting spectrum is analyzed by calculating the components in reciprocal space of the related potentials. As an application, the correlator of each potential and some localization properties are obtained
Electronic screen media for persons with autism spectrum disorders: results of a survey.
Shane, Howard C; Albert, Patti Ducoff
2008-09-01
Social and anecdotal reports suggest a predilection for visual media among individuals on the autism spectrum, yet no formal investigation has explored the extent of that use. Using a distributed questionnaire design, parents and caregivers report on time allotted toward media, including observable behaviors and communicative responses. More time was spent engaged with electronic screen media (ESM) than any other leisure activity. Television and movie viewing was more popular than computer usage. Across media platforms, animated programs were more highly preferred. Prevalent verbal and physical imitation was reported to occur during and following exposure to ESM. Clinical implications to strategically incorporate ESM into learning approaches for children with autism spectrum disorders (ASD) are provided.
Lin, Shu-Kai; Tsai, Ching-Hong; Li, Hsing-Jung; Huang, Chien-Yu; Chen, Kuan-Lin
2017-10-01
This study aimed to clarify the relationships between theory of mind and pretend play in children with autism spectrum disorder, using refined assessments of theory of mind and pretend play while controlling for autistic behaviors and verbal comprehension. A total of 92 children with autism spectrum disorder aged 4-10 years were enrolled. In two visits, the children were assessed with the Theory of Mind Task Battery, the Child-Initiated Pretend Play Assessment, the Childhood Autism Rating Scale, and the Verbal Comprehension Index of the Wechsler Intelligence Scales, respectively, for their theory of mind, pretend play performance, autistic behaviors, and verbal comprehension. The hierarchical regression models showed that in addition to the contributions of the autistic behaviors and verbal comprehension scores, the theory of mind scores positively predicted (p autism spectrum disorder, when the children's autistic behaviors and verbal comprehension are considered. This study fills a gap in the previous literature and provides information useful for clinicians and researchers on the relationships between theory of mind and pretend play in children with autism spectrum disorder.
International Nuclear Information System (INIS)
Dadashyan, K.Yu.; Khoruzhii, S.S.
1987-01-01
The construction of a modular theory for weakly closed J-involutive algebras of bounded operators on Pontryagin spaces is continued. The spectrum of the modular operator Δ of such an algebra is investigated, the existence of a strongly continuous J-unitary group is established and, under the condition that the spectrum lies in the right half-plane, Tomita's fundamental theorem is proved
International Nuclear Information System (INIS)
Abad, J.; Esteve, J.G.; Pacheco, A.F.
1985-01-01
An approximation technique to construct the low-lying energy eigenstates of any bosonic field theory on the lattice is proposed. It is based on the SLAC blocking method, after performing a finite-spin approximation to the individual degrees of freedom of the problem. General expressions for any polynomial self-interacting theory are given. Numerical results for phi 2 and phi 4 theories in 1+1 dimensions are offered; they exhibit a fast convergence rate. The complete low-lying energy spectrum of the phi 4 theory in 1+1 dimensions is calculated
Price, Layne C.
2015-11-01
We consider a phenomenological model of inflation where the inflaton is the phase of a complex scalar field Φ . Planck-suppressed operators of O (f5/Mpl) modify the geometry of the vev ⟨Φ ⟩ at first order in the decay constant f , which adds a first-order periodic term to the definition of the canonically normalized inflaton ϕ . This correction to the inflaton induces a fixed number of extra oscillatory terms in the potential V ˜θp. We derive the same result in a toy scenario where the vacuum ⟨Φ ⟩ is an ellipse with an arbitrarily large eccentricity. These extra oscillations change the form of the power spectrum as a function of scale k and provide a possible mechanism for differentiating effective field theory motivated inflation from models where the angular shift symmetry is a gauge symmetry.
Event schemas in autism spectrum disorders: the role of theory of mind and weak central coherence.
Loth, Eva; Gómez, Juan Carlos; Happé, Francesca
2008-03-01
Event schemas (generalized knowledge of what happens at common real-life events, e.g., a birthday party) are an important cognitive tool for social understanding: They provide structure for social experiences while accounting for many variable aspects. Using an event narratives task, this study tested the hypotheses that theory of mind (ToM) deficits and weak central coherence (WCC, a local processing bias) undermine different aspects of event knowledge in people with autism spectrum disorder (ASD). Event narratives of ASD ToM-failers were overall significantly impaired. ASD ToM-passers showed more specific abnormalities relating to variable activities, and some of these were significantly associated to WCC. Abnormalities in event knowledge might help linking ASD-typical social deficits in real-life situations and the adherence to inflexible routines.
Pino, Maria Chiara; Mazza, Monica; Mariano, Melania; Peretti, Sara; Dimitriou, Dagmara; Masedu, Francesco; Valenti, Marco; Franco, Fabia
2017-09-01
Theory of mind (ToM) is impaired in individuals with autism spectrum disorders (ASD). The aims of this study were to: (i) examine the developmental trajectories of ToM abilities in two different mentalizing tasks in children with ASD compared to TD children; and (ii) to assess if a ToM simple test known as eyes-test could predict performance on the more advanced ToM task, i.e. comic strip test. Based on a sample of 37 children with ASD and 55 TD children, our results revealed slower development at varying rates in all ToM measures in children with ASD, with delayed onset compared to TD children. These results could stimulate new treatments for social abilities, which would lessen the social deficit in ASD.
Johnson, Jake; Piercy, Fred P
2017-10-01
In this study, we explored how couples raising children with autism spectrum disorder negotiate intimacy, including what contextual and temporal factors influence these processes. We conducted conjoint interviews with 12 couples, employing grounded theory methodology to collect and analyze the data. Our results indicated that fostering intimacy in these couples' relationships involves partners working together to make key cognitive and relational shifts. Couples are aided or hindered in making these shifts by the degree to which they experience various contextual and environmental factors as resources or roadblocks. We also found that intimacy is not a fixed point at which couples one day arrive, but is an iterative process taking place over time and requiring work to develop and maintain. © 2017 American Association for Marriage and Family Therapy.
Social motivation and implicit theory of mind in children with autism spectrum disorder.
Burnside, Kimberly; Wright, Kristyn; Poulin-Dubois, Diane
2017-11-01
According to the social motivation theory of autism, children who develop Autism Spectrum Disorder (ASD) have early deficits in social motivation, which is expressed by decreased attention to social information. These deficits are said to lead to impaired socio-cognitive development, such as theory of mind (ToM). There is little research focused on the relation between social motivation and ToM in this population. The goal of the present study was to investigate the link between one aspect of social motivation, social orienting, and ToM in preschoolers with ASD. It was expected that, in contrast to typically developing (TD) children, children with ASD would show impaired performance on tasks measuring social orienting and ToM. It was also expected that children's performance on the social orienting tasks would be correlated with their performance on the ToM task. A total of 17 children with ASD and 16 TD children participated in this study. Participants completed two social orienting tasks, a face preference task and a biological motion preference task, as well an implicit false belief task. Results reveal that TD children, but not children with ASD, exhibited social preference as measured by a preference for faces and biological motion. Furthermore, children with ASD tended to perform worse on the ToM task compared to their TD counterparts. Performance on the social motivation tasks and the ToM task tended to be related but only for the TD children. These findings suggest that ToM is multifaceted and that motivational deficits might have downstream effects even on implicit ToM. Autism Res 2017, 10: 1834-1844. © 2017 International Society for Autism Research, Wiley Periodicals, Inc. The goal of the present study was to examine the link between poor attention to social information and mindreading abilities in children with autism spectrum disorder (ASD). Results demonstrated that children with ASD tended to perform worse than neurotypical children on both social
Jones, Catherine R G; Simonoff, Emily; Baird, Gillian; Pickles, Andrew; Marsden, Anita J S; Tregay, Jenifer; Happé, Francesca; Charman, Tony
2018-01-01
It has been strongly argued that atypical cognitive processes in autism spectrum disorder (ASD) contribute to the expression of behavioural symptoms. Comprehensive investigation of these claims has been limited by small and unrepresentative sample sizes and the absence of wide-ranging task batteries. The current study investigated the cognitive abilities of 100 adolescents with ASD (mean age = 15 years 6 months), using 10 tasks to measure the domains of theory of mind (ToM) and executive function (EF). We used structural equation modelling as a statistically robust way of exploring the associations between cognition and parent-reported measures of social communication and restricted and repetitive behaviours (RRBs). We found that ToM ability was associated with both social communication symptoms and RRBs. EF was a correlate of ToM but had no direct association with parent-reported symptom expression. Our data suggest that in adolescence ToM ability, but not EF, is directly related to autistic symptom expression. Autism Res 2018, 11: 95-109. © 2017 International Society for Autism Research, Wiley Periodicals, Inc. The behaviours that are common to autism spectrum disorder (ASD) have been linked to differences in thinking ability. We assessed autistic adolescents and found that social communication difficulties and the presence of restricted and repetitive behaviours related to difficulties in understanding other peoples' minds (theory of mind). In contrast, these behaviours were not associated with the general thinking abilities involved in planning and executing tasks (executive function). © 2017 International Society for Autism Research, Wiley Periodicals, Inc.
Electron and hole spectrum in InAs quantum dot renormalized by InAs/GaAs heterostructure deformation
International Nuclear Information System (INIS)
Dan'kiv, O.O.; Peleshchak, R.M.
2005-01-01
Analytical expressions describing the energy spectrum of electrons and holes are obtained for a quantum dot occurring in a self-consistent strain field created by an array of coherently stressed quantum dots. A method of taking into account the lattice mismatch at the quantum dot-matrix interface is proposed that allows for the dependence of the mismatch parameter on the quantum dot size and the matrix layer thickness. It is shown that the internal elastic strain arising at the quantum dot-matrix interface influences the energy spectrum of electrons more significantly than the spectrum of holes [ru
Kinetic Theory and Fast Wind Observations of the Electron Strahl
Horaites, Konstantinos; Boldyrev, Stanislav; Wilson, Lynn B., III; Viñas, Adolfo F.; Merka, Jan
2018-02-01
We develop a model for the strahl population in the solar wind - a narrow, low-density and high-energy electron beam centred on the magnetic field direction. Our model is based on the solution of the electron drift-kinetic equation at heliospheric distances where the plasma density, temperature and the magnetic field strength decline as power laws of the distance along a magnetic flux tube. Our solution for the strahl depends on a number of parameters that, in the absence of the analytic solution for the full electron velocity distribution function (eVDF), cannot be derived from the theory. We however demonstrate that these parameters can be efficiently found from matching our solution with observations of the eVDF made by the Wind satellite's SWE strahl detector. The model is successful at predicting the angular width (FWHM) of the strahl for the Wind data at 1 au, in particular by predicting how this width scales with particle energy and background density. We find that the strahl distribution is largely determined by the local temperature Knudsen number γ ∼ |T dT/dx|/n, which parametrizes solar wind collisionality. We compute averaged strahl distributions for typical Knudsen numbers observed in the solar wind, and fit our model to these data. The model can be matched quite closely to the eVDFs at 1 au; however, it then overestimates the strahl amplitude at larger heliocentric distances. This indicates that our model may be improved through the inclusion of additional physics, possibly through the introduction of 'anomalous diffusion' of the strahl electrons.
Direct detection of a break in the teraelectronvolt cosmic-ray spectrum of electrons and positrons
DAMPE Collaboration; Ambrosi, G.; An, Q.; Asfandiyarov, R.; Azzarello, P.; Bernardini, P.; Bertucci, B.; Cai, M. S.; Chang, J.; Chen, D. Y.; Chen, H. F.; Chen, J. L.; Chen, W.; Cui, M. Y.; Cui, T. S.; D'Amone, A.; de Benedittis, A.; De Mitri, I.; di Santo, M.; Dong, J. N.; Dong, T. K.; Dong, Y. F.; Dong, Z. X.; Donvito, G.; Droz, D.; Duan, K. K.; Duan, J. L.; Duranti, M.; D'Urso, D.; Fan, R. R.; Fan, Y. Z.; Fang, F.; Feng, C. Q.; Feng, L.; Fusco, P.; Gallo, V.; Gan, F. J.; Gao, M.; Gao, S. S.; Gargano, F.; Garrappa, S.; Gong, K.; Gong, Y. Z.; Guo, D. Y.; Guo, J. H.; Hu, Y. M.; Huang, G. S.; Huang, Y. Y.; Ionica, M.; Jiang, D.; Jiang, W.; Jin, X.; Kong, J.; Lei, S. J.; Li, S.; Li, X.; Li, W. L.; Li, Y.; Liang, Y. F.; Liang, Y. M.; Liao, N. H.; Liu, H.; Liu, J.; Liu, S. B.; Liu, W. Q.; Liu, Y.; Loparco, F.; Ma, M.; Ma, P. X.; Ma, S. Y.; Ma, T.; Ma, X. Q.; Ma, X. Y.; Marsella, G.; Mazziotta, M. N.; Mo, D.; Niu, X. Y.; Peng, X. Y.; Peng, W. X.; Qiao, R.; Rao, J. N.; Salinas, M. M.; Shang, G. Z.; H. Shen, W.; Shen, Z. Q.; Shen, Z. T.; Song, J. X.; Su, H.; Su, M.; Sun, Z. Y.; Surdo, A.; Teng, X. J.; Tian, X. B.; Tykhonov, A.; Vagelli, V.; Vitillo, S.; Wang, C.; Wang, H.; Wang, H. Y.; Wang, J. Z.; Wang, L. G.; Wang, Q.; Wang, S.; Wang, X. H.; Wang, X. L.; Wang, Y. F.; Wang, Y. P.; Wang, Y. Z.; Wen, S. C.; Wang, Z. M.; Wei, D. M.; Wei, J. J.; Wei, Y. F.; Wu, D.; Wu, J.; Wu, L. B.; Wu, S. S.; Wu, X.; Xi, K.; Xia, Z. Q.; Xin, Y. L.; Xu, H. T.; Xu, Z. L.; Xu, Z. Z.; Xue, G. F.; Yang, H. B.; Yang, P.; Yang, Y. Q.; Yang, Z. L.; Yao, H. J.; Yu, Y. H.; Yuan, Q.; Yue, C.; Zang, J. J.; Zhang, C.; Zhang, D. L.; Zhang, F.; Zhang, J. B.; Zhang, J. Y.; Zhang, J. Z.; Zhang, L.; Zhang, P. F.; Zhang, S. X.; Zhang, W. Z.; Zhang, Y.; Zhang, Y. J.; Zhang, Y. Q.; Zhang, Y. L.; Zhang, Y. P.; Zhang, Z.; Zhang, Z. Y.; Zhao, H.; Zhao, H. Y.; Zhao, X. F.; Zhou, C. Y.; Zhou, Y.; Zhu, X.; Zhu, Y.; Zimmer, S.
2017-12-01
High-energy cosmic-ray electrons and positrons (CREs), which lose energy quickly during their propagation, provide a probe of Galactic high-energy processes and may enable the observation of phenomena such as dark-matter particle annihilation or decay. The CRE spectrum has been measured directly up to approximately 2 teraelectronvolts in previous balloon- or space-borne experiments, and indirectly up to approximately 5 teraelectronvolts using ground-based Cherenkov γ-ray telescope arrays. Evidence for a spectral break in the teraelectronvolt energy range has been provided by indirect measurements, although the results were qualified by sizeable systematic uncertainties. Here we report a direct measurement of CREs in the energy range 25 gigaelectronvolts to 4.6 teraelectronvolts by the Dark Matter Particle Explorer (DAMPE) with unprecedentedly high energy resolution and low background. The largest part of the spectrum can be well fitted by a ‘smoothly broken power-law’ model rather than a single power-law model. The direct detection of a spectral break at about 0.9 teraelectronvolts confirms the evidence found by previous indirect measurements, clarifies the behaviour of the CRE spectrum at energies above 1 teraelectronvolt and sheds light on the physical origin of the sub-teraelectronvolt CREs.
Gaigg, Sebastian B.
2012-01-01
Autism Spectrum Disorder (ASD) is a neurodevelopmental disorder that is clinically defined by abnormalities in reciprocal social and communicative behaviors and an inflexible adherence to routinised patterns of thought and behavior. Laboratory studies repeatedly demonstrate that autistic individuals experience difficulties in recognizing and understanding the emotional expressions of others and naturalistic observations show that they use such expressions infrequently and inappropriately to regulate social exchanges. Dominant theories attribute this facet of the ASD phenotype to abnormalities in a social brain network that mediates social-motivational and social-cognitive processes such as face processing, mental state understanding, and empathy. Such theories imply that only emotion related processes relevant to social cognition are compromised in ASD but accumulating evidence suggests that the disorder may be characterized by more widespread anomalies in the domain of emotions. In this review I summarize the relevant literature and argue that the social-emotional characteristics of ASD may be better understood in terms of a disruption in the domain-general interplay between emotion and cognition. More specifically I will suggest that ASD is the developmental consequence of early emerging anomalies in how emotional responses to the environment modulate a wide range of cognitive processes including those that are relevant to navigating the social world. PMID:23316143
Directory of Open Access Journals (Sweden)
Sebastian B Gaigg
2012-12-01
Full Text Available Autism Spectrum Disorder (ASD is a neurodevelopmental disorder that is clinically defined by abnormalities in reciprocal social and communicative behaviours and an inflexible adherence to routinised patterns of thought and behaviour. Laboratory studies repeatedly demonstrate that autistic individuals experience difficulties in recognising and understanding the emotional expressions of others and naturalistic observations show that they use such expressions infrequently and inappropriately to regulate social exchanges. Dominant theories attribute this facet of the ASD phenotype to abnormalities in a social brain network that mediates social-motivational and social-cognitive processes such as face processing, mental state understanding and empathy. Such theories imply that only emotion related processes relevant to social cognition are compromised in ASD but accumulating evidence suggests that the disorder may be characterised by more widespread anomalies in the domain of emotions. In this review I summarise the relevant literature and argue that the social-emotional characteristics of ASD may be better understood in terms of a disruption in the domain-general interplay between emotion and cognition. More specifically I will suggest that ASD is the developmental consequence of early-emerging anomalies in how emotional responses to the environment modulate a wide range of cognitive processes including those that are relevant to navigating the social world.
Gaigg, Sebastian B
2012-01-01
Autism Spectrum Disorder (ASD) is a neurodevelopmental disorder that is clinically defined by abnormalities in reciprocal social and communicative behaviors and an inflexible adherence to routinised patterns of thought and behavior. Laboratory studies repeatedly demonstrate that autistic individuals experience difficulties in recognizing and understanding the emotional expressions of others and naturalistic observations show that they use such expressions infrequently and inappropriately to regulate social exchanges. Dominant theories attribute this facet of the ASD phenotype to abnormalities in a social brain network that mediates social-motivational and social-cognitive processes such as face processing, mental state understanding, and empathy. Such theories imply that only emotion related processes relevant to social cognition are compromised in ASD but accumulating evidence suggests that the disorder may be characterized by more widespread anomalies in the domain of emotions. In this review I summarize the relevant literature and argue that the social-emotional characteristics of ASD may be better understood in terms of a disruption in the domain-general interplay between emotion and cognition. More specifically I will suggest that ASD is the developmental consequence of early emerging anomalies in how emotional responses to the environment modulate a wide range of cognitive processes including those that are relevant to navigating the social world.
Measurements of the cosmic-ray electron and positron spectrum and anisotropies with the Fermi LAT
Loparco, F.; Fermi LAT Collaboration
2017-12-01
The Large Area Telescope (LAT) onboard the Fermi satellite is a pair-conversion telescope for high-energy gamma rays of astrophysical origin. Although it was designed to be a high-sensitivity gamma-ray telescope, the LAT has proved to be an excellent electron/positron detector. It has been operating in low Earth orbit since June 2008 and has collected more than 16 million cosmic-ray electron and positron (CRE) events in its first seven years of operation. The huge data sample collected by the LAT enables a precise measurement of the CRE energy spectrum up to the TeV region. A search for anisotropies in the arrival directions of CREs was also performed. The upper limits on the dipole anisotropy probe the presence of nearby young and middle-aged CRE sources.
Structure and Electronic Properties of Cerium Orthophosphate: Theory and Experiment
Energy Technology Data Exchange (ETDEWEB)
Adelstein, Nicole; Mun, B. Simon; Ray, Hannah; Ross Jr, Phillip; Neaton, Jeffrey; De Jonghe, Lutgard
2010-07-27
Structural and electronic properties of cerium orthophosphate (CePO{sub 4}) are calculated using density functional theory (DFT) with the local spin-density approximation (LSDA+U), with and without gradient corrections (GGA-(PBE)+U), and compared to X-ray diffraction and photoemission spectroscopy measurements. The density of states is found to change significantly as the Hubbard parameter U, which is applied to the Ce 4f states, is varied from 0 to 5 eV. The calculated structural properties are in good agreement with experiment and do not change significantly with U. Choosing U = 3 eV for LDSA provides the best agreement between the calculated density of states and the experimental photoemission spectra.
Electron band theory predictions and the construction of phase diagrams
International Nuclear Information System (INIS)
Watson, R.E.; Bennett, L.H.; Davenport, J.W.; Weinert, M.
1985-01-01
The a priori theory of metals is yielding energy results which are relevant to the construction of phase diagrams - to the solution phases as well as to line compounds. There is a wide range in the rigor of the calculations currently being done and this is discussed. Calculations for the structural stabilities (fcc vs bcc vs hcp) of the elemental metals, quantities which are employed in the constructs of the terminal phases, are reviewed and shown to be inconsistent with the values currently employed in such constructs (also see Miodownik elsewhere in this volume). Finally, as an example, the calculated heats of formation are compared with experiment for PtHf, IrTa and OsW, three compounds with the same electron to atom ratio but different bonding properties
A General Sparse Tensor Framework for Electronic Structure Theory.
Manzer, Samuel; Epifanovsky, Evgeny; Krylov, Anna I; Head-Gordon, Martin
2017-03-14
Linear-scaling algorithms must be developed in order to extend the domain of applicability of electronic structure theory to molecules of any desired size. However, the increasing complexity of modern linear-scaling methods makes code development and maintenance a significant challenge. A major contributor to this difficulty is the lack of robust software abstractions for handling block-sparse tensor operations. We therefore report the development of a highly efficient symbolic block-sparse tensor library in order to provide access to high-level software constructs to treat such problems. Our implementation supports arbitrary multi-dimensional sparsity in all input and output tensors. We avoid cumbersome machine-generated code by implementing all functionality as a high-level symbolic C++ language library and demonstrate that our implementation attains very high performance for linear-scaling sparse tensor contractions.
Quantum Geometry: Relativistic energy approach to cooperative electron-nucleary-transition spectrum
Directory of Open Access Journals (Sweden)
Ольга Юрьевна Хецелиус
2014-11-01
Full Text Available An advanced relativistic energy approach is presented and applied to calculating parameters of electron-nuclear 7-transition spectra of nucleus in the atom. The intensities of the spectral satellites are defined in the relativistic version of the energy approach (S-matrix formalism, and gauge-invariant quantum-electrodynamical perturbation theory with the Dirac-Kohn-Sham density-functional zeroth approximation.
Dimensional perturbation theory for the two-electron atom
International Nuclear Information System (INIS)
Goodson, D.Z.
1987-01-01
Perturbation theory in δ = 1/D, where D is the dimensionality of space, is applied to the two-electron atom. In Chapter 1 an efficient procedure for calculating the coefficients of the perturbation series for the ground-state energy is developed using recursion relations between the moments of the coordinate operators. Results through tenth order are presented. The series is divergent, but Pade summation gives results comparable in accuracy to the best configuration-interaction calculations. The singularity structure of the Pade approximants confirms the hypothesis that the energy as a function of δ has an infinite sequence of poles on the negative real axis that approaches an essential singularity at δ = O. The essential singularity causes the divergence of the perturbation series. There are also two poles at δ = 1 that slow the asymptotic convergence of the low-order terms. In Chapter 2, various techniques are demonstrated for removing the effect of these poles, and accurate results are thereby obtained, even at very low order. In Chapter 3, the large D limit of the correlation energy (CE) is investigated. In the limit D → infinity it is only 35% smaller than at D = 3. It can be made to vanish in the limit by modifying the Hartree-Fock (HF) wavefunction. In Chapter 4, perturbation theory is applied to the Hooke's-law model of the atom. Prospects for treating more-complicated systems are briefly discussed
Disrupted cortical connectivity theory as an explanatory model for autism spectrum disorders
Kana, Rajesh K.; Libero, Lauren E.; Moore, Marie S.
2011-12-01
Recent findings of neurological functioning in autism spectrum disorder (ASD) point to altered brain connectivity as a key feature of its pathophysiology. The cortical underconnectivity theory of ASD (Just et al., 2004) provides an integrated framework for addressing these new findings. This theory suggests that weaker functional connections among brain areas in those with ASD hamper their ability to accomplish complex cognitive and social tasks successfully. We will discuss this theory, but will modify the term underconnectivity to ‘disrupted cortical connectivity’ to capture patterns of both under- and over-connectivity in the brain. In this paper, we will review the existing literature on ASD to marshal supporting evidence for hypotheses formulated on the disrupted cortical connectivity theory. These hypotheses are: 1) underconnectivity in ASD is manifested mainly in long-distance cortical as well as subcortical connections rather than in short-distance cortical connections; 2) underconnectivity in ASD is manifested only in complex cognitive and social functions and not in low-level sensory and perceptual tasks; 3) functional underconnectivity in ASD may be the result of underlying anatomical abnormalities, such as problems in the integrity of white matter; 4) the ASD brain adapts to underconnectivity through compensatory strategies such as overconnectivity mainly in frontal and in posterior brain areas. This may be manifested as deficits in tasks that require frontal-parietal integration. While overconnectivity can be tested by examining the cortical minicolumn organization, long-distance underconnectivity can be tested by cognitively demanding tasks; and 5) functional underconnectivity in brain areas in ASD will be seen not only during complex tasks but also during task-free resting states. We will also discuss some empirical predictions that can be tested in future studies, such as: 1) how disrupted connectivity relates to cognitive impairments in skills
Disrupted cortical connectivity theory as an explanatory model for autism spectrum disorders.
Kana, Rajesh K; Libero, Lauren E; Moore, Marie S
2011-12-01
Recent findings of neurological functioning in autism spectrum disorder (ASD) point to altered brain connectivity as a key feature of its pathophysiology. The cortical underconnectivity theory of ASD (Just et al., 2004) provides an integrated framework for addressing these new findings. This theory suggests that weaker functional connections among brain areas in those with ASD hamper their ability to accomplish complex cognitive and social tasks successfully. We will discuss this theory, but will modify the term underconnectivity to 'disrupted cortical connectivity' to capture patterns of both under- and over-connectivity in the brain. In this paper, we will review the existing literature on ASD to marshal supporting evidence for hypotheses formulated on the disrupted cortical connectivity theory. These hypotheses are: 1) underconnectivity in ASD is manifested mainly in long-distance cortical as well as subcortical connections rather than in short-distance cortical connections; 2) underconnectivity in ASD is manifested only in complex cognitive and social functions and not in low-level sensory and perceptual tasks; 3) functional underconnectivity in ASD may be the result of underlying anatomical abnormalities, such as problems in the integrity of white matter; 4) the ASD brain adapts to underconnectivity through compensatory strategies such as overconnectivity mainly in frontal and in posterior brain areas. This may be manifested as deficits in tasks that require frontal-parietal integration. While overconnectivity can be tested by examining the cortical minicolumn organization, long-distance underconnectivity can be tested by cognitively demanding tasks; and 5) functional underconnectivity in brain areas in ASD will be seen not only during complex tasks but also during task-free resting states. We will also discuss some empirical predictions that can be tested in future studies, such as: 1) how disrupted connectivity relates to cognitive impairments in skills such
Boucher, Jill
2012-01-01
In this review, the history of the theory of mind (ToM) theory of autistic spectrum disorder (ASD) is outlined (in which ToM is indexed by success on false belief tasks), and the explanatory power and psychological causes of impaired ToM in ASD are critically discussed. It is concluded that impaired ToM by itself has only limited explanatory…
Theory of electron-impact ionization of atoms
International Nuclear Information System (INIS)
Kadyrov, A.S.; Stelbovics, A.T.; Bray, I.; Mukhamedzhanov, A.M.
2004-01-01
The existing formulations of electron-impact ionization of a hydrogenic target suffer from a number of formal problems including an ambiguous and phase-divergent definition of the ionization amplitude. An alternative formulation of the theory is given. An integral representation for the ionization amplitude which is free of ambiguity and divergence problems is derived and is shown to have four alternative, but equivalent, forms well suited for practical calculations. The extension to amplitudes of all possible scattering processes taking place in an arbitrary three-body system follows. A well-defined conventional post form of the breakup amplitude valid for arbitrary potentials including the long-range Coulomb interaction is given. Practical approaches are based on partial-wave expansions, so the formulation is also recast in terms of partial waves and partial-wave expansions of the asymptotic wave functions are presented. In particular, expansions of the asymptotic forms of the total scattering wave function, developed from both the initial and the final state, for electron-impact ionization of hydrogen are given. Finally, the utility of the present formulation is demonstrated on some well-known model problems
Theory and Observations of Microbunching Instability in Electron Machines
International Nuclear Information System (INIS)
Stupakov, Gennady V.
2003-01-01
For not very short bunches, the coherent synchrotron radiation (CSR) is usually suppressed by the shielding effect of the conducting walls of the vacuum chamber. However an initial density fluctuation in the beam with a characteristic length much shorter than the bunch length can radiate coherently. If the radiation-reaction force drives growth of the initial fluctuation, one can expect an instability which leads to micro-bunching of the beam and increased coherent radiation at short wavelengths. It has recently been realized that such an instability can play an important role in electron/positron rings where it often manifests itself as a bursting of radiation in the range of hundreds of gigahertz or terahertz. This instability can also be a source of an undesirable emittance growth in bunch compressors used in the next generation short-wavelength FELs. In this paper, we review progress in theoretical studies and numerical simulations of the microbunching instability and show connection of the theory to recent observations in electron machines
International Nuclear Information System (INIS)
Henk, J.
2004-01-01
Electron spectroscopy provides access to fundamental properties of solids, such as the geometric, electronic, and the magnetic structure. The latter are necessary for the understanding of a variety of basic but nevertheless important effects. The present work outlines recently developed theoretical approaches to electron spectroscopies. Most of the collected results rely on first-principles calculations, as formulated in multiple-scattering theory, and are contrasted with experimental findings. One topic involves spin- and angle-resolved photoelectron spectroscopy which is addressed for magnetic surfaces and ultrathin films. Exemplary results comprise magnetic dichroism in both valence-band and core-level photoemission as well as the temperature dependence of magnetic properties of ultrathin films. Another topic is spin-dependent ballistic transport through planar tunnel junctions, focusing here on the zero-bias anomaly. In most of the cases, spin-orbit coupling (SOC) is an essential ingredient and, hence, favors a relativistic description. Prominent effects of SOC are illustrated by means of the electronic structure of rare gases adsorbed on a substrate and by the splitting of surface states on Au(111). Concerning magnetism, the magnetic anisotropy of Ni films on Cu(001) is discussed, focusing in particular on the spin reorientation transition induced by lattice distortions in ultrathin films. (orig.)
Peterson, Candida C; Slaughter, Virginia P; Paynter, Jessica
2007-12-01
Results of several studies using the Vineland scale to explore links between social behavior and theory of mind (ToM) have produced mixed results, especially for children on the autism spectrum. The present pair of studies developed a psychometrically sound, age-referenced measure of social maturity to explore these issues further. In Study 1, 37 typically developing preschoolers took a battery of standard false belief tests of ToM and were rated by their teachers on a newly developed age-referenced social maturity scale with 7 items. In Study 2, a further group of 43 children aged 4 to 12 years (13 with autism, 14 with Asperger's disorder and 16 with typical development) took part in the same procedure. In Study 1, ToM was found to predict typical preschoolers' social maturity independently of age and verbal maturity. In Study 2, children with autism scored below age-matched and younger typical developers in both ToM and social maturity. Those with Asperger's disorder did well on ToM but poorly on social maturity. Study 2 replicated Study 1's finding (for typical children and for the full sample) that ToM was linked with social maturity independently of age and verbal ability, although the link was not independent of autism diagnosis. Teachers are capable of rating children's social behavior with peers as advanced, on-time or delayed for their age. Suggestive links between these ratings and ToM require further investigation, especially among children on the autism spectrum.
Crane, Laura; Goddard, Lorna; Pring, Linda
2013-01-01
Autobiographical memory difficulties have been widely reported in adults with autism spectrum disorder (ASD). The aim of the current study was to explore the potential correlates of autobiographical memory performance (including depressed mood, rumination, working memory and theory of mind) in adults with ASD, relative to a group of typical adults…
Kimhi, Yael; Shoam-Kugelmas, Dana; Agam Ben-Artzi, Galit; Ben-Moshe, Inbal; Bauminger-Zviely, Nirit
2014-01-01
Children with autism spectrum disorder (ASD) have difficulties in theory of mind (ToM) and executive function (EF), which may be linked because one domain (EF) affects the other (ToM). Group differences (ASD vs. typical development) were examined in both cognitive domains, as well as EF's associations and regressions with ToM. Participants…
Paynter, Jessica; Peterson, Candida C.
2013-01-01
Children with autism spectrum disorders (ASDs) routinely fail false belief tests of theory of mind (ToM), even at advanced chronological and mental ages. Initial training efforts were largely disappointing for those with ASD, suggesting an intractable deficit. However, more recently, children with ASD trained with various pictorial strategies…
Begeer, Sander; Howlin, Patricia; Hoddenbach, Elske; Clauser, Cassandra; Lindauer, Ramon; Clifford, Pamela; Gevers, Carolien; Boer, Frits; Koot, Hans M.
2015-01-01
Limited perspective taking or "Theory of Mind" (ToM) abilities are a core deficit of autism, and many interventions are aimed to improve ToM abilities. In this study, we investigated the effectiveness of a ToM treatment for children with autism spectrum disorders (ASD) and, for the first time, the
Kouklari, Evangelia-Chrysanthi; Thompson, Trevor; Monks, Claire P.; Tsermentseli, Stella
2017-01-01
Previous research has clearly demonstrated that autism spectrum disorder (ASD) involves deficits in multiple neuropsychological functions, such as executive function (EF) and theory of mind (ToM). A conceptual distinction is commonly made between cool and hot EF. In ASD, continued attention has been paid to the cool areas of executive dysfunction.…
Theory of mind-based action in high-functioning children from the autistic spectrum [IF 2.1
Begeer, S.; Rieffe, C.J.; Meerum Terwogt, M.; Stockmann, L.
2003-01-01
In this study we investigated whether task interest facilitated the application of Theory of Mind capacities in high-functioning children from the autism spectrum. Children were invited to carry out two simple tasks. Sabotage of both tasks by a third party resulted in the experimenter appearing to
Lind, Sophie E.; Bowler, Dermot M.
2009-01-01
This study aimed to test the hypothesis that children with autism spectrum disorder (ASD) use their knowledge of complement syntax as a means of "hacking out" solutions to false belief tasks, despite lacking a representational theory of mind (ToM). Participants completed a "memory for complements" task, a measure of receptive vocabulary, and…
Buhler, Eva; Bachmann, Christian; Goyert, Hannah; Heinzel-Gutenbrunner, Monika; Kamp-Becker, Inge
2011-01-01
Autism spectrum disorders (ASD) and attention deficit hyperactivity disorders (ADHD) are both associated with deficits in executive control and with problems in social contexts. This study analyses the variables inhibitory control and theory of mind (ToM), including a developmental aspect in the case of the latter, to differentiate between the…
Mazza, Monica; Mariano, Melania; Peretti, Sara; Masedu, Francesco; Pino, Maria Chiara; Valenti, Marco
2017-01-01
Individuals with autism spectrum disorders (ASD) show significant impairments in social skills and theory of mind (ToM). The aim of this study was to evaluate ToM and social information processing abilities in 52 children with ASD compared to 55 typically developing (TD) children. A mediation analysis evaluated whether social information…
International Nuclear Information System (INIS)
Krishan, S.
2007-01-01
The Stieltjes transform has been used in place of a more common Laplace transform to determine the time evolution of the self-consistent field (SCF) of an unmagnetized semi-infinite plasma, where the plasma electrons together with a primary and a low-density secondary electron beam move perpendicular to the boundary surface. The secondary beam is produced when the primary beam strikes the grid. Such a plasma system has been investigated by Griskey and Stanzel [M. C. Grisky and R. L. Stenzel, Phys. Rev. Lett. 82, 556 (1999)]. The physical phenomenon, observed in their experiment, has been named by them as ''secondary beam instability.'' The character of the instability observed in the experiment is not the same as predicted by the conventional treatments--the field amplitude does not grow with time. In the frequency spectrum, the theory predicts peak values in the amplitude of SCF at the plasma frequency of plasma and secondary beam electrons, decreasing above and below it. The Stieltjes transform for functions, growing exponentially in the long time limit, does not exist, while the Laplace transform technique gives only exponentially growing solutions. Therefore, it should be interesting to know the kind of solutions that an otherwise physically unstable plasma will yield. In the high-frequency limit, the plasma has been found to respond to any arbitrary frequency of the initial field differentiated only by the strength of the resulting SCF. The condition required for exponential growth in the conventional treatments, and the condition for maximum amplitude (with respect to frequency) in the present treatment, have been found to be the same. Nonlinear mode coupling between the modes excited by the plasma electrons and the low-density secondary beam gives rise to two frequency-dependent peaks in the field amplitude, symmetrically located about the much stronger peak due to the plasma electrons, as predicted by the experiment
Hung, L.; Guedj, C.; Bernier, N.; Blaise, P.; Olevano, V.; Sottile, F.
2016-04-01
We present the valence electron energy-loss spectrum and the dielectric function of monoclinic hafnia (m -HfO2) obtained from time-dependent density-functional theory (TDDFT) predictions and compared to energy-filtered spectroscopic imaging measurements in a high-resolution transmission-electron microscope. Fermi's golden rule density-functional theory (DFT) calculations can capture the qualitative features of the energy-loss spectrum, but we find that TDDFT, which accounts for local-field effects, provides nearly quantitative agreement with experiment. Using the DFT density of states and TDDFT dielectric functions, we characterize the excitations that result in the m -HfO2 energy-loss spectrum. The sole plasmon occurs between 13 and 16 eV, although the peaks ˜28 and above 40 eV are also due to collective excitations. We furthermore elaborate on the first-principles techniques used, their accuracy, and remaining discrepancies among spectra. More specifically, we assess the influence of Hf semicore electrons (5 p and 4 f ) on the energy-loss spectrum, and find that the inclusion of transitions from the 4 f band damps the energy-loss intensity in the region above 13 eV. We study the impact of many-body effects in a DFT framework using the adiabatic local-density approximation (ALDA) exchange-correlation kernel, as well as from a many-body perspective using "scissors operators" matched to an ab initio G W calculation to account for self-energy corrections. These results demonstrate some cancellation of errors between self-energy and excitonic effects, even for excitations from the Hf 4 f shell. We also simulate the dispersion with increasing momentum transfer for plasmon and collective excitation peaks.
Electron energy spectrum produced in radio sources by turbulent, resonant acceleration
International Nuclear Information System (INIS)
Eilek, J.A.; Henriksen, R.N.
1984-01-01
We consider relativistic particle acceleration by resonant Alfven waves which are driven internally in a radio source from fully developed fluid turbulence. We find that self-similar behavior as described by Lacombe, f(p)proportionalp - /sup s/ but with sroughly-equal4.5, arises self-consistently when this turbulent wave driving coexists with synchrotron losses. The coupling of the wave and particle distributions provides feedback which drives an arbitrary initial distribution to the form-stable, self-similar form. The model predicts that turbulent plasma in a radio source should evolve toward a synchrotron spectral index, 0.5< or approx. =α< or approx. =1.0 in one particle lifetime, and that the average spectrum of most sources should also be in this range. The theory may also be applicable to other turbulent sites, such as cosmic-ray reaccelertion in the interstellar medium
Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry
Luis R. Domingo
2016-01-01
A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through ...
Quantum Kramers model: Corrections to the linear response theory for continuous bath spectrum
Rips, Ilya
2017-01-01
Decay of the metastable state is analyzed within the quantum Kramers model in the weak-to-intermediate dissipation regime. The decay kinetics in this regime is determined by energy exchange between the unstable mode and the stable modes of thermal bath. In our previous paper [Phys. Rev. A 42, 4427 (1990), 10.1103/PhysRevA.42.4427], Grabert's perturbative approach to well dynamics in the case of the discrete bath [Phys. Rev. Lett. 61, 1683 (1988), 10.1103/PhysRevLett.61.1683] has been extended to account for the second order terms in the classical equations of motion (EOM) for the stable modes. Account of the secular terms reduces EOM for the stable modes to those of the forced oscillator with the time-dependent frequency (TDF oscillator). Analytic expression for the characteristic function of energy loss of the unstable mode has been derived in terms of the generating function of the transition probabilities for the quantum forced TDF oscillator. In this paper, the approach is further developed and applied to the case of the continuous frequency spectrum of the bath. The spectral density functions of the bath of stable modes are expressed in terms of the dissipative properties (the friction function) of the original bath. They simplify considerably for the one-dimensional systems, when the density of phonon states is constant. Explicit expressions for the fourth order corrections to the linear response theory result for the characteristic function of the energy loss and its cumulants are obtained for the particular case of the cubic potential with Ohmic (Markovian) dissipation. The range of validity of the perturbative approach in this case is determined (γ /ωbrate for the quantum and for the classical Kramers models. Results for the classical escape rate are in very good agreement with the numerical simulations for high barriers. The results can serve as an additional proof of the robustness and accuracy of the linear response theory.
Explaining the MoVO4- photoelectron spectrum: Rationalization of geometric and electronic structure.
Thompson, Lee M; Jarrold, Caroline C; Hratchian, Hrant P
2017-03-14
Attempts to reconcile simulated photoelectron spectra of MoVO 4 - clusters are complicated by the presence of very low energy barriers in the potential energy surfaces (PESs) of the lowest energy spin states and isomers. Transition state structures associated with the inversion of terminal oxygen ligands are found to lie below, or close to, the zero point energy of associated modes, which themselves are found to be of low frequency and thus likely to be significantly populated in the experimental characterization. Our simulations make use of Boltzmann averaging over low-energy coordinates and full mapping of the PES to obtain simulations in good agreement with experimental spectra. Furthermore, molecular orbital analysis of accessible final spin states reveals the existence of low energy two-electron transitions in which the final state is obtained from a finite excitation of an electron along with the main photodetachment event. Two-electron transitions are then used to justify the large difference in intensity between different bands present in the photoelectron spectrum. Owing to the general presence of terminal ligands in metal oxide clusters, this study identifies and proposes a solution to issues that are generally encountered when attempting to simulate transition metal cluster photoelectron spectroscopy.
Direct gaze elicits atypical activation of the theory-of-mind network in autism spectrum conditions.
von dem Hagen, Elisabeth A H; Stoyanova, Raliza S; Rowe, James B; Baron-Cohen, Simon; Calder, Andrew J
2014-06-01
Eye contact plays a key role in social interaction and is frequently reported to be atypical in individuals with autism spectrum conditions (ASCs). Despite the importance of direct gaze, previous functional magnetic resonance imaging in ASC has generally focused on paradigms using averted gaze. The current study sought to determine the neural processing of faces displaying direct and averted gaze in 18 males with ASC and 23 matched controls. Controls showed an increased response to direct gaze in brain areas implicated in theory-of-mind and gaze perception, including medial prefrontal cortex, temporoparietal junction, posterior superior temporal sulcus region, and amygdala. In contrast, the same regions showed an increased response to averted gaze in individuals with an ASC. This difference was confirmed by a significant gaze direction × group interaction. Relative to controls, participants with ASC also showed reduced functional connectivity between these regions. We suggest that, in the typical brain, perceiving another person gazing directly at you triggers spontaneous attributions of mental states (e.g. he is "interested" in me), and that such mental state attributions to direct gaze may be reduced or absent in the autistic brain.
Rasmussen, Carmen; Wyper, Katy; Talwar, Victoria
2009-01-01
Children with Fetal Alcohol Spectrum Disorders (FASD) are faced with a range of physical, cognitive, behavioral, and/or learning deficits, as well as poor executive functioning and social skills. Theory of mind (ToM) is the ability to understand that one's own perspective may differ from the perspective of another individual. ToM develops around age 4 and is correlated with performance on executive functioning tasks. The goals of this study were to examine ToM performance in young children with FASD, how age was related to ToM performance, and whether ToM abilities were related to underlying executive function difficulties. Fifty-three children (aged 4 to 8 years) participated: 25 children with FASD and 28 control children. All children were tested on measures of ToM, executive functioning, and receptive vocabulary. More children in the FASD group (44%) failed one or both ToM measures than in the control group (25%). Older children with FASD performed worse on ToM than younger children, but this was not the case for the control group. For the FASD group, ToM performance was correlated with a measure of inhibition, but for the control group, ToM was correlated with visual-spatial working memory. Children with FASD have difficulty on ToM tasks, and this difficulty may be related to underlying deficits in inhibition.
Sowden, Sophie; Koehne, Svenja; Catmur, Caroline; Dziobek, Isabel; Bird, Geoffrey
2016-02-01
A lack of imitative behavior is frequently described as a core feature of Autism Spectrum Disorder (ASD), and is consistent with claims of mirror neuron system dysfunction in these individuals. Previous research has questioned this characterization of ASD however, arguing that when tests of automatic imitation are used--which do not require higher-level cognitive processing--imitative behavior is intact or even enhanced in individuals with ASD. In Experiment 1, 60 adult individuals with ASD and a matched Control group completed an automatic imitation task in which they were required to perform an index or a middle finger lift while observing a hand making either the same, or the alternate, finger movement. Both groups demonstrated a significant imitation effect whereby actions were executed faster when preceded by observation of the same action, than when preceded by the alternate action. The magnitude of this "imitation effect" was statistically indistinguishable in the ASD and Control groups. Experiment 2 utilized an improved automatic imitation paradigm to demonstrate that, when automatic imitation effects are isolated from those due to spatial compatibility, increasing autism symptom severity is associated with an increased tendency to imitate. Notably, there was no association between autism symptom severity and spatial compatibility, demonstrating the specificity of the link between ASD symptoms and increased imitation. These results provide evidence against claims of a lack of imitative behavior in ASD, and challenge the "Broken Mirror Theory of Autism." © 2015 International Society for Autism Research, Wiley Periodicals, Inc.
International Nuclear Information System (INIS)
Hong, Dae Seok; Lee, Kun Jai
2003-01-01
Electron Spin Resonance (ESR) spectroscopy is one of the methods applicable to retrospective dosimetry. The retrospective dosimetry is a part of dose reconstruction for estimation of exposed dose occurred years before the estimation. A tooth can be separated as enamel, dentine and cementum. Among the three parts, enamel is known as to show the best sensitivity to the absorbed dose and is most widely used. Since the later 80s, ESR dosimetry with tooth enamel has been studied and applied for the retrospective dosimetry. There are some factors affecting the sensitivity of enamel to absorbed dose. One of the factors is a size of enamel. Grain size of the 1.0mm∼0.1mm range is commonly used and 0.6mm∼0.25mm is recommended in other study. But the sensitivity can be varied by the grain size. In this study, the granular effect of enamel to the sensitivity is examined for application to retrospective dosimetry. In the enamel separation, to minimize the physically induced ESR spectrum, only chemical separation method was used. Separated enamels were divided by their size. The sizes of each sample is 1.0mm∼0.71mm, 0.5mm∼0.3mm, and below 0.1mm, respectively. All enamel samples show ESR spectrum related to the absorbed dose and the ESR spectrum shows linearity to the absorbed dose. The sensitivities are similar for each sample. But the enamel of size below 0.1mm shows poor characteristics relative to other enamel size. So, it is not recommended to use enamel samples below 0.1mm
International Nuclear Information System (INIS)
Truten', V.I.
2000-01-01
On the basis of a computer simulation, it is shown that, in the spectrum of radiation from ultrarelativistic electrons in oriented crystals, new maxima can appear in the low-frequency region in addition to ordinary coherent maxima. This effect is due to the influence of high-index planes on the radiation in question. The aforementioned new maxima manifest themselves not only in the spectrum but also in the polarization characteristics of the radiation
International Nuclear Information System (INIS)
Amundsen, P.A.; Aashamar, K.
Results of calculations of the delta electron spectrum for K-shell ionization of atoms by fast charged particles for target charges in the range 6 2 <=40 are presented. Appreciable structure is found in the spectrum near the ionization threshold, in particular for fast projectiles and heavy target elements. The structure can be quite sensitive to the details of the effective atomic potentials. (Auth.)
Theoretical galactic cosmic ray electron spectrum obtained for sources of varying geometry
International Nuclear Information System (INIS)
Cohen, M.E.
1969-01-01
Jokipii and Meyer have recently obtained an electron density energy spectrum of the cosmic rays, originating in the Galaxy, using integral solutions of the steady state transfer equations, by considering a circular cylindric galactic disc as source and approximating the resulting fourth order integral. In this report, we present general results, obtained by using an arbitrary circular cylindric source, without restricting ourselves to the galactic disc. The integrals are treated exactly. The conclusions of Jokipii and Meyer form special cases of these results. We also obtain an exponential energy variation which, at the moment, is not observed experimentally. The second part of this work deals with more complicated, but perhaps more realistic models of elliptic cylindric and ellipsoidal galactic disc sources. One may also note that a very large source concentrated in a very small region gives a spectrum not unlike that for a small source distributed throughout a large volume. Finally, it may be remarked that the model adopted is much less restrictive than the artificial conception of 'leakage time' followed by other workers. (author) [fr
A comprehensive spectral theory of zonal-mode dynamics in trapped electron mode turbulence
International Nuclear Information System (INIS)
Terry, P.W.; Gatto, R.; Baver, D.A.; Fernandez, E.
2005-01-01
A comprehensive, self-consistent theory for spectral dynamics in trapped electron mode (TEM) turbulence offers critical new understanding and insights into zonal-mode physics. This theory shows that 1) zonal mode structure, anisotropy, excitation, and temporal behavior arise at and from the interface of nonlinear advection and linear wave properties; 2) waves induce a marked spectral energy-transfer anisotropy that preferentially drives zonal modes relative to non zonal modes; 3) triplet correlations involving density (as opposed to those involving only flow) mediate the dominant energy transfer at long wavelengths; 4) energy transfer becomes inverse in the presence of wave anisotropy, where otherwise it is forward; 5) zonal-mode excitation is accompanied by excitation of a spectrum of damped eigenmodes, making zonal modes nonlinearly damped; and 6) the combination of anisotropic transfer to zonal modes and their nonlinear damping make this the dominant saturation mechanism for TEM turbulence. This accounts for the reduction of turbulence level by zonal modes, not zonal-flow ExB shearing. (author)
Theory of thermal conductivity in the disordered electron liquid
Energy Technology Data Exchange (ETDEWEB)
Schwiete, G., E-mail: schwiete@uni-mainz.de [Johannes Gutenberg Universität, Spin Phenomena Interdisciplinary Center (SPICE) and Institut für Physik (Germany); Finkel’stein, A. M. [Texas A& M University, Department of Physics and Astronomy (United States)
2016-03-15
We study thermal conductivity in the disordered two-dimensional electron liquid in the presence of long-range Coulomb interactions. We describe a microscopic analysis of the problem using the partition function defined on the Keldysh contour as a starting point. We extend the renormalization group (RG) analysis developed for thermal transport in the disordered Fermi liquid and include scattering processes induced by the long-range Coulomb interaction in the sub-temperature energy range. For the thermal conductivity, unlike for the electrical conductivity, these scattering processes yield a logarithmic correction that may compete with the RG corrections. The interest in this correction arises from the fact that it violates the Wiedemann–Franz law. We checked that the sub-temperature correction to the thermal conductivity is not modified either by the inclusion of Fermi liquid interaction amplitudes or as a result of the RG flow. We therefore expect that the answer obtained for this correction is final. We use the theory to describe thermal transport on the metallic side of the metal–insulator transition in Si MOSFETs.
Theory of thermal conductivity in the disordered electron liquid
International Nuclear Information System (INIS)
Schwiete, G.; Finkel’stein, A. M.
2016-01-01
We study thermal conductivity in the disordered two-dimensional electron liquid in the presence of long-range Coulomb interactions. We describe a microscopic analysis of the problem using the partition function defined on the Keldysh contour as a starting point. We extend the renormalization group (RG) analysis developed for thermal transport in the disordered Fermi liquid and include scattering processes induced by the long-range Coulomb interaction in the sub-temperature energy range. For the thermal conductivity, unlike for the electrical conductivity, these scattering processes yield a logarithmic correction that may compete with the RG corrections. The interest in this correction arises from the fact that it violates the Wiedemann–Franz law. We checked that the sub-temperature correction to the thermal conductivity is not modified either by the inclusion of Fermi liquid interaction amplitudes or as a result of the RG flow. We therefore expect that the answer obtained for this correction is final. We use the theory to describe thermal transport on the metallic side of the metal–insulator transition in Si MOSFETs.
Theory of longitudinal instability for bunched electron and proton beams
International Nuclear Information System (INIS)
Ruggiero, A.G.
1977-01-01
A discussion is given of an original approach for the treatment of the longitudinal stability of high-intensity proton and electron bunches. The general analysis is divided in three steps. First, a search is made for a stationary bunch distribution which is matched to the external rf forces as well as to the current dependent induced fields. The existence of such distribution is questioned. Second, the stability of the stationary solution is checked by applying a small perturbation and observing whether this is initially damped or not. At this point a stability condition is derived in terms of current, surrounding impedance and bunch size. In the last step one should question what happens to the beam in case the stability condition is not satisfied. The problem here is the determination of the final bunch configuration. The originality of the approach stays in the combination of the three steps. All previous theories either consider only the first step or combine the second and third ones but disregard the first
Oliveira, Micael J T; Mignolet, Benoit; Kus, Tomasz; Papadopoulos, Theodoros A; Remacle, F; Verstraete, Matthieu J
2015-05-12
Attosecond electron dynamics in small- and medium-sized molecules, induced by an ultrashort strong optical pulse, is studied computationally for a frozen nuclear geometry. The importance of exchange and correlation effects on the nonequilibrium electron dynamics induced by the interaction of the molecule with the strong optical pulse is analyzed by comparing the solution of the time-dependent Schrödinger equation based on the correlated field-free stationary electronic states computed with the equationof-motion coupled cluster singles and doubles and the complete active space multi-configurational self-consistent field methodologies on one hand, and various functionals in real-time time-dependent density functional theory (TDDFT) on the other. We aim to evaluate the performance of the latter approach, which is very widely used for nonlinear absorption processes and whose computational cost has a more favorable scaling with the system size. We focus on LiH as a toy model for a nontrivial molecule and show that our conclusions carry over to larger molecules, exemplified by ABCU (C10H19N). The molecules are probed with IR and UV pulses whose intensities are not strong enough to significantly ionize the system. By comparing the evolution of the time-dependent field-free electronic dipole moment, as well as its Fourier power spectrum, we show that TD-DFT performs qualitatively well in most cases. Contrary to previous studies, we find almost no changes in the TD-DFT excitation energies when excited states are populated. Transitions between states of different symmetries are induced using pulses polarized in different directions. We observe that the performance of TD-DFT does not depend on the symmetry of the states involved in the transition.
Zheng, Xiao; Yam, ChiYung; Wang, Fan; Chen, GuanHua
2011-08-28
We present the time-dependent holographic electron density theorem (TD-HEDT), which lays the foundation of time-dependent density-functional theory (TDDFT) for open electronic systems. For any finite electronic system, the TD-HEDT formally establishes a one-to-one correspondence between the electron density inside any finite subsystem and the time-dependent external potential. As a result, any electronic property of an open system in principle can be determined uniquely by the electron density function inside the open region. Implications of the TD-HEDT on the practicality of TDDFT are also discussed.
Bachorz, Rafał A; Klopper, Wim; Gutowski, Maciej; Li, Xiang; Bowen, Kit H
2008-08-07
The photoelectron spectrum (PES) of the uracil anion is reported and discussed from the perspective of quantum chemical calculations of the vertical detachment energies (VDEs) of the anions of various tautomers of uracil. The PES peak maximum is found at an electron binding energy of 2.4 eV, and the width of the main feature suggests that the parent anions are in a valence rather than a dipole-bound state. The canonical tautomer as well as four tautomers that result from proton transfer from an NH group to a C atom were investigated computationally. At the Hartree-Fock and second-order Moller-Plesset perturbation theory levels, the adiabatic electron affinity (AEA) and the VDE have been converged to the limit of a complete basis set to within +/-1 meV. Post-MP2 electron-correlation effects have been determined at the coupled-cluster level of theory including single, double, and noniterative triple excitations. The quantum chemical calculations suggest that the most stable valence anion of uracil is the anion of a tautomer that results from a proton transfer from N1H to C5. It is characterized by an AEA of 135 meV and a VDE of 1.38 eV. The peak maximum is as much as 1 eV larger, however, and the photoelectron intensity is only very weak at 1.38 eV. The PES does not lend support either to the valence anion of the canonical tautomer, which is the second most stable anion, and whose VDE is computed at about 0.60 eV. Agreement between the peak maximum and the computed VDE is only found for the third most stable tautomer, which shows an AEA of approximately -0.1 eV and a VDE of 2.58 eV. This tautomer results from a proton transfer from N3H to C5. The results illustrate that the characteristics of biomolecular anions are highly dependent on their tautomeric form. If indeed the third most stable anion is observed in the experiment, then it remains an open question why and how this species is formed under the given conditions.
Newbury, Dale E; Ritchie, Nicholas W M
2011-01-01
The high throughput of the silicon drift detector energy dispersive X-ray spectrometer (SDD-EDS) enables X-ray spectrum imaging (XSI) in the scanning electron microscope to be performed in frame times of 10-100 s, the typical time needed to record a high-quality backscattered electron (BSE) image. These short-duration XSIs can reveal all elements, except H, He, and Li, present as major constituents, defined as 0.1 mass fraction (10 wt%) or higher, as well as minor constituents in the range 0.01-0.1 mass fraction, depending on the particular composition and possible interferences. Although BSEs have a greater abundance by a factor of 100 compared with characteristic X-rays, the strong compositional contrast in element-specific X-ray maps enables XSI mapping to compete with BSE imaging to reveal compositional features. Differences in the fraction of the interaction volume sampled by the BSE and X-ray signals lead to more delocalization of the X-ray signal at abrupt compositional boundaries, resulting in poorer spatial resolution. Improved resolution in X-ray elemental maps occurs for the case of a small feature composed of intermediate to high atomic number elements embedded in a matrix of lower atomic number elements. XSI imaging strongly complements BSE imaging, and the SDD-EDS technology enables an efficient combined BSE-XSI measurement strategy that maximizes the compositional information. If 10 s or more are available for the measurement of an area of interest, the analyst should always record the combined BSE-XSI information to gain the advantages of both measures of compositional contrast. Copyright © 2011 Wiley Periodicals, Inc.
Galactic x-ray and gamma-ray emission and the nature of the interstellar electron spectrum
Energy Technology Data Exchange (ETDEWEB)
Protheroe, R J; Wolfendale, A W [Durham Univ. (UK). Dept. of Physics
1980-12-01
An analysis is made of all available data, both direct and indirect, on the energy spectrum of cosmic ray electrons. It is shown that the data are consistent with an injection spectrum having a constant exponent, ..gamma.. = 2.1 +- 0.1, over a wide range of energy: 10-10sup(g) MeV. Attention is drawn to the role of a possible deficit of sources in reducing the intensity of local electrons both above 10 GeV and below a few hundred MeV.
Galactic X-ray and gamma-ray emission and the nature of the interstellar electron spectrum
International Nuclear Information System (INIS)
Protheroe, R.J.; Wolfendale, A.W.
1980-01-01
An analysis is made of all available data, both direct and indirect, on the energy spectrum of cosmic ray electrons. It is shown that the data are consistent with an injection spectrum having a constant exponent, γ = 2.1 +- 0.1, over a wide range of energy: 10-10sup(g) MeV. Attention is drawn to the role of a possible deficit of sources in reducing the intensity of local electrons both above 10 GeV and below a few hundred MeV. (orig.)
Regeta, Khrystyna; Bannwarth, Christoph; Grimme, Stefan; Allan, Michael
2015-06-28
The technique of low energy (0-30 eV) electron impact spectroscopy, originally developed for gas phase molecules, is applied to room temperature ionic liquids (IL). Electron energy loss (EEL) spectra recorded near threshold, by collecting 0-2 eV electrons, are largely continuous, assigned to excitation of a quasi-continuum of high overtones and combination vibrations of low-frequency modes. EEL spectra recorded by collecting 10 eV electrons show predominantly discrete vibrational and electronic bands. The vibrational energy-loss spectra correspond well to IR spectra except for a broadening (∼0.04 eV) caused by the liquid surroundings, and enhanced overtone activity indicating a contribution from resonant excitation mechanism. The spectra of four representative ILs were recorded in the energy range of electronic excitations and compared to density functional theory multireference configuration interaction (DFT/MRCI) calculations, with good agreement. The spectra up to about 8 eV are dominated by π-π* transitions of the aromatic cations. The lowest bands were identified as triplet states. The spectral region 2-8 eV was empty in the case of a cation without π orbitals. The EEL spectrum of a saturated solution of methylene green in an IL band showed the methylene green EEL band at 2 eV, indicating that ILs may be used as a host to study nonvolatile compounds by this technique in the future.
Reduction of combinatorical background in the mass spectrum of electron pairs
International Nuclear Information System (INIS)
Tonse, S.
1992-01-01
Among the aims of the PHENIX experiment are the identification and measurement of the properties of the ρ, ω, φ and J/ψ vector mesons that have decayed through the e + e - channel. The main obstacle to identifying vector mesons (VM) using the e + e - invariant mass, is the significant number of e + and e - from other sources, which causes a large combinatorical background in the invariant mass spectrum. The work we have done aims to reduce this background by identifying background sources through kinematical cuts and removing them along with their combinatorical effects, while at the same time preserving as much as possible of the signal, i.e. the electrons from VM decay. A measurement of electron pairs (e + and e - ) from π-π and q bar q thermal sources is also a possibility, and a clear identification of the ''easier'' vector mesons (ω, φ) will be an indication of how well the thermal measurement can be done. To determine the nature and values of the kinematical cuts we have used a computer simulation to generate particles according to predetermined phase-space (rapidity and P T ) and multiplicity distributions
An Experimental and Quantum Chemical Study of the Electronic Spectrum of the HBCl Free Radical
Gharaibeh, Mohammed A.; Nagarajan, Ramya; Clouthier, Dennis J.; Tarroni, Ricardo
2012-06-01
The chloroborane (HBCl) free radical has a complex electronic spectrum in the visible that involves a transition from a bent ground state to a linear excited state, both of which are the Renner-Teller components of what would be a ^2π state at linearity. We have used the synchronous-scan LIF and single vibronic level emission techniques to untangle the many overlapping vibronic bands and assign upper state K quantum numbers for jet-cooled HBCl and DBCl. The radicals were produced in a pulsed electric discharge jet using a precursor mixture of boron trichloride (BCl_3) and hydrogen or deuterium in high-pressure argon. As an important aid to understanding the data, the ground and excited state high level ab initio potential energy surfaces (PES) have been calculated and the vibrational levels obtained variationally. The calculated ground state levels are in excellent agreement with the emission data validating the quality of the PES. Aside from an approximately 100 cm-1 shift in the upper state electronic term value, the calculated excited state vibrational energy levels and isotope shifts match the LIF data very well, allowing the observed bands to be assigned with confidence.
Good social skills despite poor theory of mind: exploring compensation in autism spectrum disorder.
Livingston, Lucy Anne; Colvert, Emma; Bolton, Patrick; Happé, Francesca
2018-03-26
It is proposed that some individuals with Autism Spectrum Disorder (ASD) can 'compensate' for their underlying difficulties (e.g. in theory of mind; ToM), thus demonstrating relatively few behavioural symptoms, despite continued core cognitive deficits. The mechanisms underpinning compensation are largely unexplored, as is its potential impact on mental health. This study aimed to estimate compensation patterns in ASD, by contrasting overt social behaviour with ToM task performance, in order to compare the characteristics of 'Low' and 'High' Compensators. A total of 136 autistic adolescents, from the ongoing Social Relationships Study, completed a range of cognitive tasks, the Autistic Diagnostic Observation Schedule (ADOS) and a self-report anxiety questionnaire. Participants were assigned compensation group status; High Compensators demonstrated good ADOS scores despite poor ToM performance, while Low Compensators demonstrated similarly poor ToM, accompanied by poor ADOS scores. High Compensators demonstrated better IQ and executive function (EF), but greater self-reported anxiety, compared with Low Compensators. Such differences were not found when comparing individuals who had good versus poor ADOS scores, when ToM performance was good. Other core autistic characteristics (weak central coherence, nonsocial symptoms) did not differentiate the High and Low Compensators. IQ, EF and anxiety appear to be implicated in the processes by which certain autistic young people can compensate for their underlying ToM difficulties. This tendency to compensate does not appear to reflect the severity of 'hit' for ASD per se, suggesting that well-compensated individuals are not experiencing a milder form of ASD. The construct of compensation in ASD has implications for research and clinical practice. © 2018 The Authors. Journal of Child Psychology and Psychiatry published by John Wiley & Sons Ltd on behalf of Association for Child and Adolescent Mental Health.
Theory of mind in children with autism spectrum disorder: do siblings matter?
Matthews, Nicole L; Goldberg, Wendy A; Lukowski, Angela F
2013-10-01
Research indicates a positive relation between the sibling constellation and theory of mind (ToM) development in typically developing (TD) children. Less is known about this association in children with autism spectrum disorder (ASD). The current study examined the association among the presence and number of siblings, birth order, and false belief (FB) understanding in children with ASD and a TD comparison group. Two FB tasks (change of contents and change of location) and the Peabody Picture Vocabulary Test were administered to 57 children with ASD and 28 TD children during a home visit. One parent of each child reported on demographics and the sibling constellation. Separate hierarchical regressions controlled for age, receptive language ability, and scores on the Social Communication Questionnaire. In children with ASD, no association was observed between presence or number of siblings and ToM. However, the presence of older (but not younger) siblings was found to be positively associated with ToM. Children with ASD who had at least one older sibling performed similarly to the TD group, whereas children with ASD who had no older siblings performed significantly worse than the TD group. These findings indicate an advantage for FB performance in children with ASD who have an older sibling. They may bear on decisions to include older siblings or peers in intervention programs and may also contribute to a more complete understanding of the origins of individual differences in ToM ability in children with ASD. © 2013 International Society for Autism Research, Wiley Periodicals, Inc.
International Nuclear Information System (INIS)
Kondorskiy, A.; Nakamura, H.
2004-01-01
The title theory is developed by combining the Herman-Kluk semiclassical theory for adiabatic propagation on single potential-energy surface and the semiclassical Zhu-Nakamura theory for nonadiabatic transition. The formulation with use of natural mathematical principles leads to a quite simple expression for the propagator based on classical trajectories and simple formulas are derived for overall adiabatic and nonadiabatic processes. The theory is applied to electronically nonadiabatic photodissociation processes: a one-dimensional problem of H 2 + in a cw (continuous wave) laser field and a two-dimensional model problem of H 2 O in a cw laser field. The theory is found to work well for the propagation duration of several molecular vibrational periods and wide energy range. Although the formulation is made for the case of laser induced nonadiabatic processes, it is straightforwardly applicable to ordinary electronically nonadiabatic chemical dynamics
Remark on the nature of the spectrum of the Lame equation. A problem from transcendence theory
International Nuclear Information System (INIS)
Chudnovsky, D.V.; Chudnovsky, G.V.
1980-01-01
Let #betta#(x) be Weierstrass elliptic function with algebraic invariant g 2 , g 3 . In the paper we prove that the degenerate point of spectrum for Lame equation having potential n(n-1)/2 #betta#(x) are transcendental, while non-degenerate points of the spectrum are algebraic. (author)
International Nuclear Information System (INIS)
Samsonov, A.M.; Fedorenko, V.N.
1981-01-01
The kinetic equation describing temporal evolution of the ultra-relativistic electrons' energy spectrum effected by synchrotron losses and turbulent acceleration is solved for the isotropic part of the electrons' distribution function. The original distribution is assumed to be given in the form of a power spectrum. Turbulence properties are stated by means of the turbulent acceleration coefficient depending on epsilon energy D(epsilon)=D 0 epsilon 3 which is related to the synchrotron losses coefficient b(epsilon)=b 0 epsilon 3 so that the isotropization of the distribution function is provided without essential acceleration of particles. The initial spectrum is conserved up to some values of time t and energy epsilon connected by inequality epsilonb 0 t 0 /D 0 -2 if epsilonD 0 t>>1 and b 0 >>D 0 . Finally, are possible applications of the solution to description of processes in supernova shells and radio galaxies are discussed [ru
International Nuclear Information System (INIS)
Li Weiming; Ha Yiming; Wang Feng
2012-01-01
The study was conducted to detect electron beam irradiated food by ESR spectroscopy. The white pepper powder, paprika powder, cumin powder and pistachios were used as test materials to study the feature changes of ESR spectrum and the relationship between ESR intensity and irradiation dose in different doses, the shape variation of ESR spectrum in γ-rays and electron beams in the same sample was also compared. The results showed that the ESR spectrum of 4 kinds of irradiated samples was obviously different before and after irradiation, the intensity of ESR signal increased with the increasing of the absorbed dose. The dose above 432 Gy could be detected in white pepper powder and pistachios, the dose above 875 Gy could be detected in paprika powder and cumin powder. The ESR intensity of all samples decreased during the storage time (200 d), even after 200 days the ESR method could also be used to detect whether or not the samples have been irradiated. The same dosage of y-rays and electron beams has no significant influence on the shape of ESR spectrum, however, the difference of irradiation mechanism caused slight impact on ESR intensity. The results could provide the technical basis for the application of ESR method in detecting electron beam irradiated food. (authors)
International Nuclear Information System (INIS)
Li Weiming; Ha Yiming; Wang Feng
2011-01-01
The study was conducted to detect electron beam irradiated food by ESR spectroscopy. The white pepper powder, paprika powder, cumin powder and pistachios were used as test materials to study the feature changes of ESR spectrum and the relationship between ESR intensity and irradiation dose in different doses, the shape variation of ESR spectrum in γ-rays and electron beams in the same sample was also compared. The results showed that the ESR spectrum of 4 kinds of irradiated samples was obviously different before and after irradiation, the intensity of ESR signal increased with the increasing of the absorbed dose. The dose above 432 Gy could be detected in white pepper powder and pistachios, the dose above 875 Gy could be detected in paprika powder and cumin powder. The ESR intensity of all samples decreased during the storage time (200 d), even after 200 days the ESR method could also be used to detect whether or not the samples have been irradiated. The same dosage of γ-rays and electron beams has no significant influence on the shape of ESR spectrum, however, the difference of irradiation mechanism caused slight impact on ESR intensity. The results could provide the technical basis for the application of ESR method in detecting electron beam irradiated food. (authors)
International Nuclear Information System (INIS)
Pellerin, Francois
1981-01-01
The first part of this work is a review of both theoretical and experimental aspects of the fine structure appearing in the Secondary Electron Spectrum (SES) and in the electron energy loss spectrum. In the second part, we report the results of a study of the SES and ELS spectra of clean and gas covered aluminium. The use of very low primary electron energies (E p ≤ 30 eV) enables the detection of previously unobserved peaks in the ELS spectra of clean and oxygen covered aluminium. They are attributed to single electron excitations. Furthermore, a very large peak appears in the SES spectrum during oxygen or carbon adsorption on aluminium. It is interpreted in terms of interaction of the background electrons with the valence electrons of the surface. Molecular hydrogen adsorption is observed on Ta, Pt, Al 2 O 3 , Si. It is responsible for an ELS peak located 13 eV below the elastic peak. Furthermore, on silicon, the chemisorbed hydrogen form can be distinguished from the molecular form with the help of ELS. Finally, some examples are given of the application of these results to surface imaging. (author) [fr
Taherpour, Avat (Arman); Jamshidi, Morteza; Rezaei, Omid; Belverdi, Ali Rezaei
2018-06-01
The electronic and optical properties of N,N‧-bis(salicylidene)-1,2-phenylenediamine (SPDA) ligand were studied as a chemical sensor of Mg2+ cation in two solvents (water and DMSO) using the ab initio theory through Density Functional Theory (DFT) and Time Dependent Density Functional theory (TDDFT) methods. The results show that the SPDA ligand has a high ability for chemical sensing of Mg2+. The results has also represented that HOMO-LUMO energy gap decreases 0.941 eV after the complex formation between SPDA and Mg2+. In addition, obvious changes are found in the UV-Vis absorption spectrum, optical analyses SPDA ligand and [SPDA.Mg]2+ complex, which it has the capability of detecting Mg2+ via the adsorptive UV-Vis and colorimetric methods. Emission spectrum calculations and photoinduced electron transfer (PET) process in water solution shows different wavelength emission spectrum in amount of 4.6 nm. An analysis of NBO (natural bond orbital) data indicates tangible changes in the electron transfers data from the electron pairs of ligand to the conjugated system, both prior and subsequent to Mg2+addition.
Murphy, Maureen Kendrick
2010-01-01
In this article, a comparison of student learning outcomes is made in sophomore-level physical science classes using a "traditional" pedagogical approach versus a "modern" approach. Specifically, when students were taught the electromagnetic spectrum using diagrams and examples that incorporate technological advances and electronic devices of our…
Theory and design of microwave photonic free-electron lasers
Denis, T.
2012-01-01
Coherent electromagnetic waves are extensively used in various fields of research and many applications. Almost every part of the electromagnetic spectrum, ranging from radio waves to hard X-rays, has been put to work for the benefit of mankind. Therefore, it is not surprising that, despite a huge
Application of multiple scattering theory in electron dosimetry
International Nuclear Information System (INIS)
Oliveira, M.J.G.S. de.
1984-01-01
A theoretical model, based on the Fermi-Eyges scattering theory, which takes into account the different heterogeneous media, is proposed. Heterogeneous phantoms were built in order to obtain curves of distribution of the absorbed dose. The agreement between the theoretical and experimental data prove that presented theory model is useful to describe the absorbed dose in homogeneous media. (M.A.C.) [pt
Electronic zero-point oscillations in the strong-interaction limit of density functional theory
Gori Giorgi, P.; Vignale, G.; Seidl, M.
2009-01-01
The exchange-correlation energy in Kohn-Sham density functional theory can be expressed exactly in terms of the change in the expectation of the electron-electron repulsion operator when, in the many-electron Hamiltonian, this same operator is multiplied by a real parameter λ varying between 0
A dynamic elastic and inelastic scattering theory of high-energy electrons
International Nuclear Information System (INIS)
Wang Zhonglin
1990-01-01
A review is given on the applications of elastic multislice theory for simulating the images and diffractions of reflection electron microscopy. The limitation of this theory is illustrated according to some experimental observations. A generalized elastic and inelastic multislice theory is then introduced from quantum mechanics; its applications for approaching inelastic plasmon excitation and phonon excitation (or thermal diffuse scattering) are discussed. The energy-filtered inelastic high resolution images can be simulated based on this theory
Theory of semiconductor junction devices a textbook for electrical and electronic engineers
Leck, J H
1967-01-01
Theory of Semiconductor Junction Devices: A Textbook for Electrical and Electronic Engineers presents the simplified numerical computation of the fundamental electrical equations, specifically Poisson's and the Hall effect equations. This book provides the fundamental theory relevant for the understanding of semiconductor device theory. Comprised of 10 chapters, this book starts with an overview of the application of band theory to the special case of semiconductors, both intrinsic and extrinsic. This text then describes the electrical properties of conductivity, semiconductors, and Hall effe
International Nuclear Information System (INIS)
Marek-Crnjac, L.
2004-01-01
In the present work we give an introduction to the ε (∞) Cantorian space-time theory. In this theory every particle can be interpreted as a scaling of another particle. Some particles are a scaling of the proton and are expressed in terms of phi and α-bar 0 . Following the VAK suggestion of El Naschie, the limit sets of Kleinian groups are Cantor sets with Hausdorff dimension phi or a derivative of phi such as 1/phi, 1/phi 2 , 1/phi 3 , etc. Consequently and using ε (∞) theory, the mass spectrum of elementary particles may be found from the limit set of the Moebius-Klein geometry of quantum space-time as a function of the golden mean phi=(}5-1)/2=0.618033989 as discussed recently by Datta (see Chaos, Solitons and Fractals 17 (2003) 621-630)
Energy Technology Data Exchange (ETDEWEB)
Marek-Crnjac, L
2004-02-01
In the present work we give an introduction to the {epsilon}{sup ({infinity}}{sup )} Cantorian space-time theory. In this theory every particle can be interpreted as a scaling of another particle. Some particles are a scaling of the proton and are expressed in terms of phi and {alpha}-bar{sub 0}. Following the VAK suggestion of El Naschie, the limit sets of Kleinian groups are Cantor sets with Hausdorff dimension phi or a derivative of phi such as 1/phi, 1/phi{sup 2}, 1/phi{sup 3}, etc. Consequently and using {epsilon}{sup ({infinity}}{sup )} theory, the mass spectrum of elementary particles may be found from the limit set of the Moebius-Klein geometry of quantum space-time as a function of the golden mean phi=({r_brace}5-1)/2=0.618033989 as discussed recently by Datta (see Chaos, Solitons and Fractals 17 (2003) 621-630)
Theory of Mind in Children with Fetal Alcohol Spectrum Disorders.
Lindinger, Nadine M; Malcolm-Smith, Susan; Dodge, Neil C; Molteno, Christopher D; Thomas, Kevin G F; Meintjes, Ernesta M; Jacobson, Joseph L; Jacobson, Sandra W
2016-02-01
Theory of mind (ToM) refers to the ability to understand and make inferences about other people's intentions, feelings, and beliefs. Although children with fetal alcohol spectrum disorders (FASD) are known to have deficits in social-cognitive function, little is known about ToM in FASD. ToM ability was assessed using a developmentally sensitive ToM battery, including the reading the mind in the eyes (RME) test, a measure of mental inferential ability that has been found to be impaired in other clinical populations. IQ and executive function (EF) were assessed as potential mediating variables. The battery was administered to 63 children (aged 9 to 11 years) from Cape Town, South Africa, whose mothers had been prospectively recruited during pregnancy. Children with fetal alcohol syndrome (FAS; n = 8) and partial FAS (PFAS; n = 19), as well as nonsyndromal heavily exposed children (n = 17), were compared to children born to abstaining or light drinkers (n = 19) from the same community. No FASD group differences were found on the less challenging ToM tasks. By contrast, children with FAS and PFAS performed more poorly than controls on a more challenging ToM task, the RME test. A continuous measure of prenatal alcohol exposure (PAE) was more sensitive than FASD diagnosis in that it was related to 4 higher-order ToM measures, particularly the ability to attribute mental states assessed on RME. IQ only partially mediated the effect of exposure on RME performance, and these effects were not mediated by EF. Hence, the data suggest that these ToM measures tap into a specific alcohol-related social-cognitive deficit that does not merely reflect poorer EF. FASD diagnosis and PAE were each also related to RME after control for attention deficit/hyperactivity disorder. These findings suggest that deficits in higher-order ToM function may play a significant role in the social-cognitive behavioral impairment in FASD. Copyright © 2016 by the Research Society on Alcoholism.
International Nuclear Information System (INIS)
Woo, R.; Armstrong, J.W.
1979-01-01
Solar wind electron density power spectra in the solar equatorial region are inferred from observations of phase scintillations and spectral broadening made with the Viking, Helios, and Pioneer spacecraft. The heliocentric distance range covered is 2--215 R/sub S/, and for some observations close to the sun the spectra extend to fluctuation frequencies as high as 100 Hz. For heliocentric distances > or approx. =20 R/sub S/ the equivalent spacecraft-measured one-dimensional density spectrym V/sub n/e is well modeled by a single power law (f/sup -alpha/) in the frequency range 10 -4 -5 x 10 -2 Hz. The mean spectral index α is 1.65, very close to the Kolmogorov value of 5/3. Under the assumption of constant solar wind speed, V/sub n/e varies as R/sup -3.45/, where R is heliocentric distance. Within 20 R/sub S/, V/sub n/e can still be modeled by a single power law over the frequency range 10 -3 -10 1 Hz, but the spectral index becomes smaller, αapprox.1.1. The flattening of the density spectrum with 20 R/sub S/ is presumably associated with energy deposition in the near-sun region and acceleration of the solar wind
Mineralogical applications of electron diffraction. 1. Theory and techniques
Ross, Malcolm; Christ, C.L.
1958-01-01
The small wavelengths used in electron-diffraction experiments and the thinness of the crystals necessary for the transmission of the electron beam combine to require a somewhat different diffraction geometry for the interpretation of electron-diffraction patterns than is used in the interpretation of X-ray diffraction patterns. This geometry, based on the reciprocal lattice concept and geometrical construction of Ewald, needed for the interpretation.
Transport Theory for Kinetic Emission of Secondary Electrons from Solids
DEFF Research Database (Denmark)
Schou, Jørgen
1980-01-01
a solid is derived. To find the former, existing computations for ion slowing down and experimental and theoretical ones for electron bombardment can be utilized. The energy and angular distribution of the secondary electrons and the secondary electron yield are both expressed as products of the deposited...... in the keV region is largely taken into account. The predicted energy and angular distribution agree with absolute spectra for incident electrons, whereas the agreement with absolute spectra for incident protons is less satisfactory. Extrapolation of the energy distribution down to the vacuum level gives...
Energy Technology Data Exchange (ETDEWEB)
Borovskiy, A. V. [Department of Computer Science and Cybernetics, Baikal State University of Economics and Law, 11 Lenin Street, Irkutsk 664003 (Russian Federation); Galkin, A. L. [Coherent and Nonlinear Optics Department, A.M. Prokhorov General Physics Institute of the RAS, 38 Vavilov Street, Moscow 119991 (Russian Federation); Department of Physics of MBF, Pirogov Russian National Research Medical University, 1 Ostrovitianov Street, Moscow 117997 (Russian Federation); Kalashnikov, M. P., E-mail: galkin@kapella.gpi.ru [Max-Born-Institute for Nonlinear Optics and Short-Time Spectroscopy, 2a Max-Born-Strasse, Berlin 12489 (Germany)
2015-04-15
The new method of calculating energy spectra of accelerated electrons, based on the parameterization by their initial coordinates, is proposed. The energy spectra of electrons accelerated by Gaussian ultra-short relativistic laser pulse at a selected angle to the axis of the optical system focusing the laser pulse in a low density gas are theoretically calculated. The two-peak structure of the electron energy spectrum is obtained. Discussed are the reasons for its appearance as well as an applicability of other models of the laser field.
Phonon excess heating in electronic relaxation theory in quantum dots
Czech Academy of Sciences Publication Activity Database
Král, Karel; Lin, Ch. Y.
2008-01-01
Roč. 22, č. 20 (2008), s. 3439-3460 ISSN 0217-9792 R&D Projects: GA MŠk ME 866 Institutional research plan: CEZ:AV0Z10100520 Keywords : quantum dots * electron -phonon interaction * electron ic transport Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 0.558, year: 2008
Adiabatic theory of nonlinear electron cyclotron resonance heating
International Nuclear Information System (INIS)
Kotel'nikov, I.A.; Stupakov, G.V.
1989-01-01
Plasma heating at electron frequency by an ordinary wave propagating at right angle to unidirectional magnetic field is treated. Injected microwave power is assumed to be so large that relativistic change of electron gyrofrequency during one flight thorugh the wave beam is much greater than inverse time of flight. The electron motion in the wave field is described using Hamiltonian formalism in adiabatic approximation. It is shown that energy coupling from the wave to electrons is due to a bifurcation of electron trajectory which results in a jumpm of the adiabatic invariant. The probability of bifurcational transition from one trajectory to another is calculated analytically and is used for the estimation of the beam power absorbed in plasma. 6 refs.; 2 figs
Adibsereshki, Narges; Nesayan, Abbas; Asadi Gandomani, Roghayeh; Karimlou, Masood
2015-01-01
Children with Autism Spectrum Disorders (ASD) tend to have problems in establishing and maintaining their social relationships. Some professionals believe this social impairment is the result of deficit in Theory of Mind (ToM). This study was conducted to explore the effectiveness of ToM training on such children. A quasi-experimental method, pre- test, post-test with control group was used. The sample included of 12 girls and 12 boys with High Functioning Autism Spectrum Disorders (HFASD). Two instruments were used as follows: the Theory of Mind test and the social skills questionnaire (1). The samples were randomly placed in the experimental and control groups. The experimental groups had 15 sessions of ToM training and the control groups had just regular school program. The data were analyzed by Kolmogorov-Smirnov, independent t- and twoway- variance tests. The scores for social skills in the experimental group were significantly more than the control group. ToM training might improve the social skills of children with autism spectrum disorders.
Holovatsky, V. A.; Voitsekhivska, O. M.; Yakhnevych, M. Ya
2018-04-01
The effect of homogeneous magnetic field and location of donor impurity on the electron energy spectrum and distribution of its probability density in spherical core-shell quantum dot is investigated. In the framework of the effective mass approximation and rectangular infinitely deep potential well, the solutions of the Schrodinger equation are found using the matrix method. The wave functions are expanded over the complete set of exact functions obtained without the magnetic field and impurity. It is shown that when the induction of magnetic field increases, the ground state of electron in the nanostructure without impurity or on-center impurity is successively formed by the states with m = 0, -1, -2, … (Aharonov-Bohm effect). When donor impurity is located in the shell of the nanostructure the Aharonov-Bohm effect vanishes. The dependences of electron energy spectrum and its wave functions on the location of impurity, placed along the direction of magnetic field or perpendicularly to it, are studied. It is shown, that in the first case, the quantum states are characterized by the certain value of magnetic quantum number m and the expansion contains the wave functions of the states with it only. In the second case, the cylindrical symmetry of the problem is broken and the new quantum states are formed from the states with different values of all three quantum numbers n, l, m and electron energy spectrum weakly depends on the magnetic field induction.
Analytic theory of the spherical electron to ion convertor
International Nuclear Information System (INIS)
Verdeyen, J.T.; Miller, P.A.
1980-01-01
Calculations will be presented which indicate that one could, with high efficiency, convert the electron beam energy transported from many pinched diode to ions at a reasonably sized evacuated spherical shell - or a light bulb
The Theory of Coherent Radiation by Intense Electron Beams
Buts, Vyacheslav A; Kurilko, V.I
2006-01-01
Spurred by the development of high-current, high-energy relativistic electron beams this books delves into the foundations of a device and geometry independent theoretical treatment of a large collection of interacting and radiating electron bunches. Part I deals with the basics of the radiation emission of a single charged particle, paying particular attention to the effect of radiation reaction and dwelling on the corresponding well-known paradoxes. Part II investigates the collective behaviour of a high-density electron bunch where both discrete and continous beam modelling is explored. Part III treats the application to modern systems while still keeping the treatment as general as possible. This book will be mandatory reading for anyone working on the foundations of modern devices such as free electron lasers, plasma accelerators, synchroton sources and other modern sources of bright, coherent radiation with high spectral density.
Nonequilibrium statistical operator in hot-electron transport theory
International Nuclear Information System (INIS)
Xing, D.Y.; Liu, M.
1991-09-01
The Nonequilibrium Statistical Operator method developed by Zubarev is generalized and applied to the study of hot-electron transport in semiconductors. The steady-state balance equations for momentum and energy are derived to the lowest order in the electron-lattice coupling. We show that the derived balance equations are exactly the same as those obtained by Lei and Ting. This equivalence stems from the fact that to the linear order in the electron-lattice coupling, two statistical density matrices have identical effect when they are used to calculate the average value of a dynamical operator. The application to the steady-state and transient hot-electron transport in multivalley semiconductors is also discussed. (author). 28 refs, 1 fig
Theory And Design Of Thermionic Electron Beam Guns
International Nuclear Information System (INIS)
Iqbal, Munawar; Fazal-e-Aleem
2005-01-01
Electron beam technology has a long history and wide applications in various fields including high-energy physics. The unique properties, which one can develop by using different configurations, have been one of the strongest driving forces for this multi-dimensional technology. In this paper, we will take up the subject along with applications in various areas of physics. We will particularly focus on the developments of electron beam sources by our laboratory
Wang, Jinlong; Feng, Shuo; Wu, Qihui; Zheng, Xueqiang; Xu, Yuhua; Ding, Guoru
2014-12-01
Cognitive radio (CR) is a promising technology that brings about remarkable improvement in spectrum utilization. To tackle the hidden terminal problem, cooperative spectrum sensing (CSS) which benefits from the spatial diversity has been studied extensively. Since CSS is vulnerable to the attacks initiated by malicious secondary users (SUs), several secure CSS schemes based on Dempster-Shafer theory have been proposed. However, the existing works only utilize the current difference of SUs, such as the difference in SNR or similarity degree, to evaluate the trustworthiness of each SU. As the current difference is only one-sided and sometimes inaccurate, the statistical information contained in each SU's historical behavior should not be overlooked. In this article, we propose a robust CSS scheme based on Dempster-Shafer theory and trustworthiness degree calculation. It is carried out in four successive steps, which are basic probability assignment (BPA), trustworthiness degree calculation, selection and adjustment of BPA, and combination by Dempster-Shafer rule, respectively. Our proposed scheme evaluates the trustworthiness degree of SUs from both current difference aspect and historical behavior aspect and exploits Dempster-Shafer theory's potential to establish a `soft update' approach for the reputation value maintenance. It can not only differentiate malicious SUs from honest ones based on their historical behaviors but also reserve the current difference for each SU to achieve a better real-time performance. Abundant simulation results have validated that the proposed scheme outperforms the existing ones under the impact of different attack patterns and different number of malicious SUs.
Designing the Electronic Classroom: Applying Learning Theory and Ergonomic Design Principles.
Emmons, Mark; Wilkinson, Frances C.
2001-01-01
Applies learning theory and ergonomic principles to the design of effective learning environments for library instruction. Discusses features of electronic classroom ergonomics, including the ergonomics of physical space, environmental factors, and workstations; and includes classroom layouts. (Author/LRW)
Introduction of the chronon in the theory of electron and the wave-particle duality
International Nuclear Information System (INIS)
Caldirola, P.
1984-01-01
The author summarizes the more important results obtained in the electron theory based on the chronon and stresses some peculiarities of the wave-particle duality directly connected with the introduction of the chronon. (Auth.)
Nobel Prize 1992: Rudolph A. Marcus: theory of electron transfer reactions in chemical systems
International Nuclear Information System (INIS)
Ulate Segura, Diego Guillermo
2011-01-01
A review of the theory developed by Rudolph A. Marcus is presented, who for his rating to the theory of electron transfer in chemical systems was awarded the Nobel Prize in Chemistry in 1992. Marcus theory has constituted not only a good extension of the use of a spectroscopic principle, but also has provided an energy balance and the application of energy conservation for electron transfer reactions. A better understanding of the reaction coordinate is exposed in terms energetic and establishing the principles that govern the transfer of electrons, protons and some labile small molecular groups as studied at present. Also, the postulates and equations described have established predictive models of reaction time, very useful for industrial environments, biological, metabolic, and others that involve redox processes. Marcus theory itself has also constituted a large contribution to the theory of complex transition [es
Electronic Health Record Based Algorithm to Identify Patients with Autism Spectrum Disorder.
Directory of Open Access Journals (Sweden)
Todd Lingren
Full Text Available Cohort selection is challenging for large-scale electronic health record (EHR analyses, as International Classification of Diseases 9th edition (ICD-9 diagnostic codes are notoriously unreliable disease predictors. Our objective was to develop, evaluate, and validate an automated algorithm for determining an Autism Spectrum Disorder (ASD patient cohort from EHR. We demonstrate its utility via the largest investigation to date of the co-occurrence patterns of medical comorbidities in ASD.We extracted ICD-9 codes and concepts derived from the clinical notes. A gold standard patient set was labeled by clinicians at Boston Children's Hospital (BCH (N = 150 and Cincinnati Children's Hospital and Medical Center (CCHMC (N = 152. Two algorithms were created: (1 rule-based implementing the ASD criteria from Diagnostic and Statistical Manual of Mental Diseases 4th edition, (2 predictive classifier. The positive predictive values (PPV achieved by these algorithms were compared to an ICD-9 code baseline. We clustered the patients based on grouped ICD-9 codes and evaluated subgroups.The rule-based algorithm produced the best PPV: (a BCH: 0.885 vs. 0.273 (baseline; (b CCHMC: 0.840 vs. 0.645 (baseline; (c combined: 0.864 vs. 0.460 (baseline. A validation at Children's Hospital of Philadelphia yielded 0.848 (PPV. Clustering analyses of comorbidities on the three-site large cohort (N = 20,658 ASD patients identified psychiatric, developmental, and seizure disorder clusters.In a large cross-institutional cohort, co-occurrence patterns of comorbidities in ASDs provide further hypothetical evidence for distinct courses in ASD. The proposed automated algorithms for cohort selection open avenues for other large-scale EHR studies and individualized treatment of ASD.
Theory of electron cyclotron heating in the Constance II experiment
International Nuclear Information System (INIS)
Mauel, M.E.
1981-03-01
The bounce-averaged quasi-linear equation for a non-relativistic mirror-confined plasma interacting with electromagnetic waves is derived for use in the study of ECRH of the Constance II mirror experiment. The derivations follows the more formal examples given by Berk for electrostatic waves and Bernstein and Baxter for relativistic plasmas. The validity of the theory is discussed by examining individual particle orbits in an EM field. The local dispersion relation is found while deriving a self-consistent WKB theory which can be used to estimate the power transferred from the launching horn to the plasma
Chen, Xinxian; Tan, Zhenyu; Liu, Yadi; Li, Xiaotong; Pan, Jie; Wang, Xiaolong
2017-08-01
This work presents a systematical investigation on the spatiotemporal evolution of the energy spectrum of electrons in atmospheric pressure argon plasma jets and its dependence on the applied voltage. The investigations are carried out by means of the numerical simulation based on a particle-in-cell Monte-Carlo collision model. The characteristics of the spatiotemporal evolution of the energy spectrum of electrons (ESE) in the discharge space have been presented, and especially the mechanisms of inducing these characteristics have also been revealed. The present work shows the following conclusions. In the evolution of ESE, there is a characteristic time under each applied voltage. Before the characteristic time, the peak value of ESE decreases, the peak position shifts toward high energy, and the distribution of ESE becomes wider and wider, but the reverse is true after the characteristic time. The formation of these characteristics can be mainly attributed to the transport of electrons toward a low electric field as well as a balance between the energy gained from the electric field including the effect of space charges and the energy loss due to inelastic collisions in the process of electron transport. The characteristic time decreases with the applied voltage. In addition, the average energy of electrons at the characteristic time can be increased by enhancing the applied voltage. The results presented in this work are of importance for regulating and controlling the energy of electrons in the plasma jets applied to plasma medicine.
Lo, Sin Ting; Siemensma, Elbrich; Collin, Philippe; Hokken-Koelega, Anita
2013-09-01
In order to evaluate the social cognitive functioning in children with Prader-Willi syndrome (PWS), Theory of Mind (ToM) and symptoms of Autism Spectrum Disorder were evaluated. Sixty-six children with PWS aged 7-17 years were tested using the Theory of Mind test-R and the Diagnostic Interview for Social Communication disorders. We tested the correlation between Total ToM Standard Deviation Score (Total ToM SDS) and genetic subtype of paternal deletion or maternal uniparental disomy, and total IQ, verbal IQ and performal IQ. Prevalence and symptoms of Autism Spectrum Disorder were assessed. Median (interquartile range) of total ToM SDS of those aged 7-17 years was -3.84 (-5.73, -1.57). Their Total ToM SDS correlated with total IQ (β=0.662, p0.05, adj.R(2)=0.259). No difference in Total ToM SDS was found between children with deletion and maternal uniparental disomy (β=-0.143, p>0.05, adj.R(2)=-0.016). Compared to the reference group of healthy children aged 7-12 years, children with PWS in the same age group had a median ToM developmental delay of 4 (3-5) years. One third of children with PWS scored positive for Autism Spectrum Disorder. Most prominent aberrations in Autism Spectrum Disorder were focused on maladaptive behavior. Our findings demonstrate a markedly reduced level of social cognitive functioning, which has consequences for the approach of children with PWS, i.e. adjustment to the child's level of social cognitive functioning. Copyright © 2013 Elsevier Ltd. All rights reserved.
Fokker-Planck theory of electron cyclotron assisted startup and breakdown in Tokamaks
International Nuclear Information System (INIS)
Fidone, I.; Granata, G.
1993-04-01
The kinetic theory of plasma startup in a tokamak in the presence of electron cyclotron resonance heating is discussed. The linear theory of the X-mode and the upper-hybrid converted mode damping in low density and temperature plasmas are first reviewed. Then, the kinetic equation for the electron velocity distribution is considered, which is determined by the perpendicular electron cyclotron quasilinear diffusion operator, the parallel electric field, elastic and inelastic electron-neutral collisions and various losses. Two different time scales, namely the elastic electron-neutral collision time and the much longer ionization time, are identified. Thus a two time scale ordering procedure is legitimated for which the velocity distribution is determined by the quasilinear diffusion and the electron-neutral collision frequency; the ionization rate is computed using the Fokker-Planck solution for the electron velocity distribution
Multicomponent Time-Dependent Density Functional Theory: Proton and Electron Excitation Energies.
Yang, Yang; Culpitt, Tanner; Hammes-Schiffer, Sharon
2018-04-05
The quantum mechanical treatment of both electrons and protons in the calculation of excited state properties is critical for describing nonadiabatic processes such as photoinduced proton-coupled electron transfer. Multicomponent density functional theory enables the consistent quantum mechanical treatment of more than one type of particle and has been implemented previously for studying ground state molecular properties within the nuclear-electronic orbital (NEO) framework, where all electrons and specified protons are treated quantum mechanically. To enable the study of excited state molecular properties, herein the linear response multicomponent time-dependent density functional theory (TDDFT) is derived and implemented within the NEO framework. Initial applications to FHF - and HCN illustrate that NEO-TDDFT provides accurate proton and electron excitation energies within a single calculation. As its computational cost is similar to that of conventional electronic TDDFT, the NEO-TDDFT approach is promising for diverse applications, particularly nonadiabatic proton transfer reactions, which may exhibit mixed electron-proton vibronic excitations.
DEFF Research Database (Denmark)
Yan, Wei
2015-01-01
We investigate the hydrodynamic theory of metals, offering systematic studies of the linear-response dynamics for an inhomogeneous electron gas. We include the quantum functional terms of the Thomas-Fermi kinetic energy, the von Weizsa¨cker kinetic energy, and the exchange-correlation Coulomb...... energies under the local density approximation. The advantages, limitations, and possible improvements of the hydrodynamic theory are transparently demonstrated. The roles of various parameters in the theory are identified. We anticipate that the hydrodynamic theory can be applied to investigate the linear...... response of complex metallic nanostructures, including quantum effects, by adjusting theory parameters appropriately....
Self energies of the electron and photon in the unified space field theory
International Nuclear Information System (INIS)
Duong Van Phi, Nguyen Mong Giao.
1981-01-01
Self energies of the electron and photon are calculated in the second approximation of perturbation theory. The formalism of the field theory of interaction in the unified 8-dimensional space is used. The calculations are free of divergence the unitary condition is fulfilled. It is shown that the ''naked'' and physical masses of a free electron are identical. A similar result is obtained for a free photon. Some other effects are discussed [ru
Basic concepts of Density Functional Theory: Electronic structure calculation
International Nuclear Information System (INIS)
Sharma, B. Indrajit
2016-01-01
We are looking for a material which possesses the required properties as demanded for technological applications. For this we have to repeat the preparation of the appropriate materials and its characterizations. So, before proceeding to experiments, one can study on computer generated structure and predict the properties of the desired material. To do this, a concept of Density Functional Theory comes out. (paper)
Theory and measurement of the electron cloud effect
International Nuclear Information System (INIS)
Harkey, K. C.
1999-01-01
Photoelectrons produced through the interaction of synchrotrons radiation and the vacuum chamber walls can be accelerated by a charged particle beam, acquiring sufficient energy to produce secondary electrons (SES) in collisions with the walls. If the secondary-electron yield (SEY) coefficient of the wall material is greater than one, a run-away condition can develop. In addition to the SEY, the degree of amplification depends on the beam intensity and temporal distribution. As the electron cloud builds up along a train of stored bunches, a transverse perturbation of the head bunch can be communicated to trailing bunches in a wakefield-like interaction with the cloud. The electron cloud effect is especially of concern for the high-intensity PEP-II (SLAC) and KEK B-factories and at the Large Hadron Collider (LHC) at CERN. An initiative was undertaken at the Advanced Photon Source (APS) storage ring to characterize the electron cloud in order to provide realistic limits on critical input parameters in the models and improve their predictive capabilities. An intensive research program was undertaken at CERN to address key issues relating to the LHC. After giving an overview, the recent theoretical and experimental results from the APS and the other laboratories will be discussed
Theory and measurement of the electron cloud effect
Harkay, K C
1999-01-01
Photoelectrons produced through the interaction of synchrotron radiation and the vacuum chamber walls can be accelerated by a charged particle beam, acquiring sufficient energy to produce secondary electrons (SEs) in collisions with the walls. If the secondary-electron yield (SEY) coefficient of the wall material is greater than one, a runaway condition can develop. In addition to the SEY, the degree of amplification depends on the beam intensity and temporal distribution. As the electron cloud builds up along a train of stored bunches, a transverse perturbation of the head bunch can be communicated to trailing bunches in a wakefield-like interaction with the cloud. The electron cloud effect is especially of concern for the high-intensity PEP-II (SLAC) and KEK B-factories and at the Large Hadron Collider (LHC) at CERN. An initiative was undertaken at the Advanced Photon Source (APS) storage ring to characterize the electron cloud in order to provide realistic limits on critical input parameters in the models ...
Worth, Sarah
2003-01-01
This study compared responses of 16 pupils either with or without autistic spectrum disorder (ASD) and matched for gender and verbal ability. Subjects' responses to various pictures were categorized. Results suggested errors made by the two groups differed both quantitatively and qualitatively. Errors made by pupils with ASD were largely…
The energy-momentum spectrum in local field theories with broken Lorentz-symmetry
International Nuclear Information System (INIS)
Borchers, H.J.; Buchholz, D.
1984-05-01
Assuming locality of the observables and positivity of the energy it is shown that the joint spectrum of the energy-momentum operators has a Lorentz-invariant lower boundary in all superselection sectors. This result is of interest if the Lorentz-symmetry is (spontaneously) broken, such as in the charged sectors of quantum electrodynamics. (orig.)
Exploring the Components of Advanced Theory of Mind in Autism Spectrum Disorder
Pedreño, C.; Pousa, E.; Navarro, J. B.; Pàmias, M.; Obiols, J. E.
2017-01-01
Performance of a group of 35 youth and adults with High-Functioning Autism (HFA) was compared with a typical developing (TD) group on three Advanced Theory of Mind tests. The distinction between the social-cognitive and social-perceptual components of Theory of Mind was also explored. The HFA group had more difficulties in all tasks. Performance…
Theory of the ionization yield in gases under electron irradiation
International Nuclear Information System (INIS)
Inokuti, M.
1974-01-01
The total number N/sub i/(T) of ionizations that an incident electron of kinetic energy T causes in a pure gas obeys an integral equation known as the Fowler equation. Its solution is shown to closely approximate N/sub i/(T) = (T -- U)/W/sub a/ for T exceeding several multiples of the first ionization energy I, where U and W/sub a/ are constants having the energy dimension. Simple formulas express U and W/sub a/ in terms of various cross sections for electron inelastic collisions with a gas molecule. In particular, U - I represents the average kinetic energy of a subionization electron. (35 refs) (U.S.)
Theory and practice of uncommon molecular electronic configurations.
Gryn'ova, Ganna; Coote, Michelle L; Corminboeuf, Clemence
2015-01-01
The electronic configuration of the molecule is the foundation of its structure and reactivity. The spin state is one of the key characteristics arising from the ordering of electrons within the molecule's set of orbitals. Organic molecules that have open-shell ground states and interesting physicochemical properties, particularly those influencing their spin alignment, are of immense interest within the up-and-coming field of molecular electronics. In this advanced review, we scrutinize various qualitative rules of orbital occupation and spin alignment, viz., the aufbau principle, Hund's multiplicity rule, and dynamic spin polarization concept, through the prism of quantum mechanics. While such rules hold in selected simple cases, in general the spin state of a system depends on a combination of electronic factors that include Coulomb and Pauli repulsion, nuclear attraction, kinetic energy, orbital relaxation, and static correlation. A number of fascinating chemical systems with spin states that fluctuate between triplet and open-shell singlet, and are responsive to irradiation, pH, and other external stimuli, are highlighted. In addition, we outline a range of organic molecules with intriguing non-aufbau orbital configurations. In such quasi-closed-shell systems, the singly occupied molecular orbital (SOMO) is energetically lower than one or more doubly occupied orbitals. As a result, the SOMO is not affected by electron attachment to or removal from the molecule, and the products of such redox processes are polyradicals. These peculiar species possess attractive conductive and magnetic properties, and a number of them that have already been developed into molecular electronics applications are highlighted in this review. WIREs Comput Mol Sci 2015, 5:440-459. doi: 10.1002/wcms.1233 For further resources related to this article, please visit the WIREs website.
Husain, Mudassir M; Tandon, H C; Varadwaj, Pradeep R
2008-03-01
The ultraviolet-visual spectrum of 3-methylchrysene, 4-methylchrysene and their radical cations formed by ultraviolet radiations, were measured in glass matrix at the room temperature. In the measured singlet state spectrum we were able to identify the alpha, p, beta, beta' (Clar's) or (1)L(b), (1)L(a)(1)B(b), (1)B(a) (Platt's notation) bands. The presence of alpha, beta or (1)L(b), (1)B(b) was confirmed by calculating their wavelength ratio lambda(alpha)/lambda(beta). Since matrix induces perturbation in the measured spectrum; it becomes necessary to take into account the perturbation while computing the spectrum. An effort has been made in this work to simulate the electronic spectrum in the same environment as is measured. This study presents the first calculated spectrum of these systems and their cations in glass matrix by semi empirical methods. To observe the magnitude of perturbation and hence to see the spectral shift in glass matrix, the spectrum was calculated in the free state as well. Spectral properties such as frontier orbitals gap, dipole moment, mean polarizabilities and its tensors were also computed both in glass matrix and free state using semiemperical method. The measured bands of 3-methylchrysene cation at wavelength 416.50 and 473.85 nm closely match with the available diffuse intersteallar bands (DIBs) at 417.55 and 472.64 nm, respectively. Also the observed 474.85 nm band of 4-methylchrysene cation matches the DIB at 476.00 nm.
Absorption distances in the dynamical theory of electron diffraction
International Nuclear Information System (INIS)
Kamiya, Yoshihiko; Goto, Toshiaki.
1982-01-01
The contrast effect of the electron microscopic image at crystal defects is characterized by two parameters; extincion distance and absorption distance. Both quantities are orginally defined for the elastic scattering. Since the inelastic scattering contributes to the electron microscopic image, parameters used for the interpretation of the images are not the same as those for the elastic scattering. It is shown that the difference of absorption distance beteen the theoretical estimation and that used for interpretation is due to the contrst effect of the small angle inelastic scattering. (author)
Hybrid Theory of Electron-Hydrogenic Systems Elastic Scattering
Bhatia, A. K.
2007-01-01
Accurate electron-hydrogen and electron-hydrogenic cross sections are required to interpret fusion experiments, laboratory plasma physics and properties of the solar and astrophysical plasmas. We have developed a method in which the short-range and long-range correlations can be included at the same time in the scattering equations. The phase shifts have rigorous lower bounds and the scattering lengths have rigorous upper bounds. The phase shifts in the resonance region can be used to calculate very accurately the resonance parameters.
Theory of nuclear excitation by electron capture for heavy ions
International Nuclear Information System (INIS)
Palffy, Adriana; Scheid, Werner; Harman, Zoltan
2006-01-01
We investigate the resonant process of nuclear excitation by electron capture (NEEC), in which a continuum electron is captured into a bound state of an ion with the simultaneous excitation of the nucleus. In order to derive the cross section a Feshbach projection operator formalism is introduced. Nuclear states and transitions are described by a nuclear collective model and making use of experimental data. Transition rates and total cross sections for NEEC followed by the radiative decay of the excited nucleus are calculated for various heavy-ion collision systems
Conformational analysis of cellobiose by electronic structure theories.
French, Alfred D; Johnson, Glenn P; Cramer, Christopher J; Csonka, Gábor I
2012-03-01
Adiabatic Φ/ψ maps for cellobiose were prepared with B3LYP density functional theory. A mixed basis set was used for minimization, followed with 6-31+G(d) single-point calculations, with and without SMD continuum solvation. Different arrangements of the exocyclic groups (38 starting geometries) were considered for each Φ/ψ point. The vacuum calculations agreed with earlier computational and experimental results on the preferred gas phase conformation (anti-Φ(H), syn-ψ(H)), and the results from the solvated calculations were consistent with the (syn Φ(H)/ψ(H) conformations from condensed phases (crystals or solutions). Results from related studies were compared, and there is substantial dependence on the solvation model as well as arrangements of exocyclic groups. New stabilizing interactions were revealed by Atoms-In-Molecules theory. Published by Elsevier Ltd.
Source theory analysis of electron--positron annihilation experiments
International Nuclear Information System (INIS)
Schwinger, J.
1975-01-01
The phenomenological viewpoint already applied to deep inelastic scattering is extended to the discussion of electron-positron annihilation experiments. Some heuristic arguments lead to simple forms for the pion differential cross section that are in reasonable accord with the published experimental data in the energy interval 3 to 4.8 GeV
Theory of the one- and two-dimensional electron gas
International Nuclear Information System (INIS)
Emery, V.J.
1987-01-01
Two topics are discussed: (1) the competition between 2k/sub F/ and 4k/sub F/ charge state waves in a one-dimensional electron gas and (2) a two-dimensional model of high T/sub c/ superconductivity in the oxides
Current functional theory for multi-electron configuration
DEFF Research Database (Denmark)
Bang, Jens N.; Bohr, Henrik
2010-01-01
of the method to ZnO and H2O to calculate the occupation probabilities of the orbitals lead to the results that compare favorably with those obtained from DFT. Furthermore, evolution equations for electrons in both atoms and molecules can be derived. Applications to specific examples of small molecules (being...
Density functional theory study of structure, electronic and magnetic ...
Indian Academy of Sciences (India)
ABHIJIT DUTTA
2018-01-30
Jan 30, 2018 ... magnetic properties of non-metal (Group 13) doped stable. Rhn(n = 2−8) ... Deformed electron density was found to be higher in the case of Rh5B, Rh4Al, Rh7Al and ...... systems: Modeling of surface alloys and alloy surfaces.
Kinetic theory analysis of electron attachment cooling in oxygen
International Nuclear Information System (INIS)
Skullerud, H.R.
1983-01-01
The attachment cooling effect observed by Hegerberg and Crompton (1983) has been analysed theoretically and numerically in a Boltzmann equation eigenvalue approach. The effect is highly sensitive to the shape and magnitude of the rotational excitation cross sections. When due account is taken of the rotational excitations associated with the (O 2 - ) negative ion resonances, good agreement between theory and experiment can be obtained with reasonable input cross-section data
Oliver, Catherine J
2003-01-01
The purpose of this project was to design and implement a case management framework for the benefit of children diagnosed with an autistic spectrum disorder (ASD). The process consisted of selecting two children exhibiting symptoms of an ASD and managing them across a continuum of care. Methodological structure was derived from case management standards of practice and Orem's Nursing Theories. Although some objectives sustained a slight delay because of variances, findings revealed successful outcomes based on progression toward measurable case management goals. The children were directed to appropriate school placements and habilitative therapies in an efficient manner. Their parents received support and education related to special needs children. The process yielded assurance that Orem's Nursing Theories and case management concepts articulate seamlessly within nursing care boundaries.
Boucher, Jill
2012-05-01
In this review, the history of the theory of mind (ToM) theory of autistic spectrum disorder (ASD) is outlined (in which ToM is indexed by success on false belief tasks), and the explanatory power and psychological causes of impaired ToM in ASD are critically discussed. It is concluded that impaired ToM by itself has only limited explanatory power, but that explorations of the psychological precursors of impaired ToM have been fruitful in increasing understanding of mindreading impairments in ASD (where 'mindreading' refers those abilities that underlie triadic interaction as well as ToM). It is argued that early explanations of impaired mindreading are untenable for various reasons, but that impairments of dyadic interaction in ASD that could lead to impaired ability to represent others' mental states may be the critical psychological cause, or causes, of impaired ToM. The complexity of causal routes to impaired ToM is emphasized.
Employability Competencies for Entry Level Occupations in Electronics. Part One: Basic Theory.
Werner, Claire
This syllabus, which is the first of a two-volume set describing the basic competencies needed by entry-level workers in the field of electronics, deals with the basic theories of electricity and electronics. Competencies are organized according to the following skills areas: the meaning of electricity, how electricity works, resistors, Ohm's law,…
International Nuclear Information System (INIS)
Banacky, P.
2010-01-01
Complex electronic ground state of molecular and solid state system is analyzed on the ab initio level beyond the adiabatic Born-Oppenheimer approximation (BOA). The attention is focused on the band structure fluctuation (BSF) at Fermi level, which is induced by electron-phonon coupling in superconductors, and which is absent in the non-superconducting analogues. The BSF in superconductors results in breakdown of the adiabatic BOA. At these circumstances, chemical potential is substantially reduced and system is stabilized (effect of nuclear dynamics) in the anti adiabatic state at broken symmetry with a gap(s) in one-particle spectrum. Distorted nuclear structure has fluxional character and geometric degeneracy of the anti adiabatic ground state enables formation of mobile bipolarons in real space. It has been shown that an effective attractive e-e interaction (Cooper-pair formation) is in fact correction to electron correlation energy at transition from adiabatic into anti adiabatic ground electronic state. In this respect, Cooper-pair formation is not the primary reason for transition into superconducting state, but it is a consequence of anti adiabatic state formation. It has been shown that thermodynamic properties of system in anti adiabatic state correspond to thermodynamics of superconducting state. Illustrative application of the theory for different types of superconductors is presented.
Electron paramagnetic resonance of Cu(II) and vibrational spectrum of chalcanthite
International Nuclear Information System (INIS)
Reddy, B.J.; Sreeramulu, P.; Ramesh, K.; Reddy, Y.P.; Botto, I.L.
1988-01-01
The EPR spectrum of Cu(II) in Chalcanthite has the characteristic features of D 4h symmetry. Optical and EPR results are correlated. The parameters g parallel, g perpendicular, k parallel and k perpendicular are evaluated. The nature of the bonding between the metal ion and the ligand environment is analized. On the other hand, the vibrational spectrum confirms the information about the site symmetry of the SO 4 group in the lattice. (Author) [es
Nonlinear evolution of the matter power spectrum in modified theories of gravity
International Nuclear Information System (INIS)
Koyama, Kazuya; Taruya, Atsushi; Hiramatsu, Takashi
2009-01-01
We present a formalism to calculate the nonlinear matter power spectrum in modified gravity models that explain the late-time acceleration of the Universe without dark energy. Any successful modified gravity models should contain a mechanism to recover general relativity (GR) on small scales in order to avoid the stringent constrains on deviations from GR at solar system scales. Based on our formalism, the quasi-nonlinear power spectrum in the Dvali-Gabadadze-Porratti braneworld models and f(R) gravity models are derived by taking into account the mechanism to recover GR properly. We also extrapolate our predictions to fully nonlinear scales using the parametrized post-Friedmann framework. In the Dvali-Gabadadze-Porratti and f(R) gravity models, the predicted nonlinear power spectrum is shown to reproduce N-body results. We find that the mechanism to recover GR suppresses the difference between the modified gravity models and dark energy models with the same expansion history, but the difference remains large at the weakly nonlinear regime in these models. Our formalism is applicable to a wide variety of modified gravity models and it is ready to use once consistent models for modified gravity are developed.
Theory of the chemical effects of high-energy electrons
International Nuclear Information System (INIS)
Magee, J.L.; Chatterjee, A.
1978-01-01
The general nature of radiation chemical yields arising from electron irradiations is examined. A relationship between the G value of an arbitrary radiation product and the initial electron energy (greater than 20 keV) in the form of an integro-differential equation is derived. G values for the water decomposition products in acid solution are obtained by numerical solution of the equation and the use of a model. A differential equation equivalent to the integro-differential equation for the case of Rutherford scattering is introduced and an approximate analytical solution is found (eq 10). The latter turns out to be in agreement with the numerical solution of the integro-differential equation obtained with the more accurate Moeller cross section. Experimental data for ferrous sulfate oxidation (Fricke dosimeter) are examined and found to be in agreement with the relationships obtained here. Primary yields of the water decomposition products are also given. 4 figures, 2 tables, 35 references
Hoddenbach, Elske; Koot, Hans M.; Clifford, Pamela; Gevers, Carolien; Clauser, Cassandra; Boer, Frits; Begeer, Sander
2012-01-01
Background: Having a 'theory of mind', or having the ability to attribute mental states to oneself or others, is considered one of the most central domains of impairment among children with an autism spectrum disorder (ASD). Many interventions focus on improving theory of mind skills in children
International Nuclear Information System (INIS)
Inokuti, M.; Dillon, M.A.; Kimura, M.
1987-01-01
Ionizing radiations generate in matter a large number of energetic electrons, which in turn collide with molecules in matter, produce ions and excited states, and thereby degrade in energy. The description of the consequences of many collision processes to the electrons and to matter is the goal of the electron degradation theory. They summarize the current understanding of this topic, which is important as a basis of radiation chemistry and biology. In addition, they present an initial report of their new work, namely, a generalization of the Spencer-Fano theory to time-dependent cases
Can Social Cognitive Theories Help Us Understand Nurses' Use of Electronic Health Records?
Strudwick, Gillian; Booth, Richard; Mistry, Kartini
2016-04-01
Electronic health record implementations have accelerated in clinical settings around the world in an effort to improve patient safety and enhance efficiencies related to care delivery. As the largest group of healthcare professionals globally, nurses play an important role in the use of these records and ensuring their benefits are realized. Social cognitive theories such as the Theory of Reasoned Action, Theory of Planned Behaviour, and the Technology Acceptance Model have been developed to explain behavior. Given that variation in nurses' electronic health record utilization may influence the degree to which benefits are realized, the aim of this article is to explore how the use of these social cognitive theories may assist organizations implementing electronic health records to facilitate deeper-level adoption of this type of clinical technology.
Multislice theory of fast electron scattering incorporating atomic inner-shell ionization
International Nuclear Information System (INIS)
Dwyer, C.
2005-01-01
It is demonstrated how atomic inner-shell ionization can be incorporated into a multislice theory of fast electron scattering. The resulting theory therefore accounts for both inelastic scattering due to inner-shell ionization and dynamical elastic scattering. The theory uses a description of the ionization process based on the angular momentum representation for both the initial and final states of the atomic electron. For energy losses near threshold, only a small number of independent states of the ejected atomic electron need to be considered, reducing demands on computing time, and eliminating the need for tabulated inelastic scattering factors. The theory is used to investigate the influence of the collection aperture size on the spatial origin of the silicon K-shell EELS signal generated by a STEM probe. The validity of a so-called local approximation is also considered
Quantum theory for 1D X-ray free electron laser
Anisimov, Petr M.
2018-06-01
Classical 1D X-ray Free Electron Laser (X-ray FEL) theory has stood the test of time by guiding FEL design and development prior to any full-scale analysis. Future X-ray FELs and inverse-Compton sources, where photon recoil approaches an electron energy spread value, push the classical theory to its limits of applicability. After substantial efforts by the community to find what those limits are, there is no universally agreed upon quantum approach to design and development of future X-ray sources. We offer a new approach to formulate the quantum theory for 1D X-ray FELs that has an obvious connection to the classical theory, which allows for immediate transfer of knowledge between the two regimes. We exploit this connection in order to draw quantum mechanical conclusions about the quantum nature of electrons and generated radiation in terms of FEL variables.
Theory of nuclear excitation by electron capture for heavy ions
Energy Technology Data Exchange (ETDEWEB)
Gagyi-Palffy, A.
2006-07-01
The resonant process of nuclear excitation by electron capture (NEEC) in collisions involving highly-charged ions has been investigated theoretically. NEEC is a rare recombination process in which a free electron is captured into a bound shell of an ion with the simultaneous excitation of the nucleus. Total cross sections for NEEC followed by the radiative decay of the excited nucleus are presented for various collision systems. The possibility to observe the NEEC in scattering experiments with trapped or stored ions was discussed focusing on the cases with the largest calculated resonance strength. As the photons emitted in different channels of the electron recombination process are indistinguishable in the total cross section, the interference between NEEC followed by the radiative decay of the nucleus and radiative recombination was investigated. The angular distribution of the emitted photons in the recombination process provides means to discern the two processes. Angular differential cross sections for the emitted photons in the case of E2 nuclear transitions were presented for several heavy elements. (orig.)
Quantum-Dynamical Theory of Electron Exchange Correlation
Directory of Open Access Journals (Sweden)
Burke Ritchie
2013-01-01
aggregate, is elucidated. The relationship depends on the use of spin-dependent quantum trajectories (SDQT to evaluate Coulomb’s law between any two electrons as an instantaneous interaction in space and time rather than as a quantum-mean interaction in the form of screening and exchange potentials. Hence FDS depends in an ab initio sense on the inference of SDQT from Dirac’s equation, which provides for relativistic Lorentz invariance and a permanent magnetic moment (or spin in the electron’s equation of motion. Schroedinger’s time-dependent equation can be used to evaluate the SDQT in the nonrelativistic regime of electron velocity. Remarkably FDS is a relativistic property of an ensemble of electron, even though it is of order c0 in the nonrelativistic limit, in agreement with experimental observation. Finally it is shown that covalent versus separated-atoms limits can be characterized by the SDQT. As an example of the use of SDQT in a canonical structure problem, the energies of the 1Σg and 3Σu states of H2 are calculated and compared with the accurate variational energies of Kolos and Wolniewitz.
Modern electronic structure theory and applications in organic chemistry
Davidson, ER
1997-01-01
This volume focuses on the use of quantum theory to understand and explain experiments in organic chemistry. High level ab initio calculations, when properly performed, are useful in making quantitative distinctions between various possible interpretations of structures, reactions and spectra. Chemical reasoning based on simpler quantum models is, however, essential to enumerating the likely possibilities. The simpler models also often suggest the type of wave function likely to be involved in ground and excited states at various points along reaction paths. This preliminary understanding is n
Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry
Directory of Open Access Journals (Sweden)
Luis R. Domingo
2016-09-01
Full Text Available A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT, is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT, the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.
Molecular Electron Density Theory: A Modern View of Reactivity in Organic Chemistry.
Domingo, Luis R
2016-09-30
A new theory for the study of the reactivity in Organic Chemistry, named Molecular Electron Density Theory (MEDT), is proposed herein. MEDT is based on the idea that while the electron density distribution at the ground state is responsible for physical and chemical molecular properties, as proposed by the Density Functional Theory (DFT), the capability for changes in electron density is responsible for molecular reactivity. Within MEDT, the reactivity in Organic Chemistry is studied through a rigorous quantum chemical analysis of the changes of the electron density as well as the energies associated with these changes along the reaction path in order to understand experimental outcomes. Studies performed using MEDT allow establishing a modern rationalisation and to gain insight into molecular mechanisms and reactivity in Organic Chemistry.
Liu, Wei; Tan, Zhenyu; Zhang, Liming; Champion, Christophe
2017-03-01
In this work, direct DNA damage induced by low-energy electrons (sub-keV) is simulated using a Monte Carlo method. The characteristics of the present simulation are to consider the new mechanism of DNA damage due to dissociative electron attachment (DEA) and to allow determining damage to specific bases (i.e., adenine, thymine, guanine, or cytosine). The electron track structure in liquid water is generated, based on the dielectric response model for describing electron inelastic scattering and on a free-parameter theoretical model and the NIST database for calculating electron elastic scattering. Ionization cross sections of DNA bases are used to generate base radicals, and available DEA cross sections of DNA components are applied for determining DNA-strand breaks and base damage induced by sub-ionization electrons. The electron elastic scattering from DNA components is simulated using cross sections from different theoretical calculations. The resulting yields of various strand breaks and base damage in cellular environment are given. Especially, the contributions of sub-ionization electrons to various strand breaks and base damage are quantitatively presented, and the correlation between complex clustered DNA damage and the corresponding damaged bases is explored. This work shows that the contribution of sub-ionization electrons to strand breaks is substantial, up to about 40-70%, and this contribution is mainly focused on single-strand break. In addition, the base damage induced by sub-ionization electrons contributes to about 20-40% of the total base damage, and there is an evident correlation between single-strand break and damaged base pair A-T.
Modern quantum chemistry introduction to advanced electronic structure theory
Szabo, Attila
1996-01-01
The aim of this graduate-level textbook is to present and explain, at other than a superficial level, modem ab initio approaches to the calculation of the electronic structure and properties of molecules. The first three chapters contain introductory material culminating in a thorough discussion of the Hartree-Fock approximation.The remaining four chapters describe a variety of more sophisticated approaches, which improve upon this approximation.Among the highlights of the seven chapters are (1) a review of the mathematics (mostly matrix algebra) required for the rest of the book, (2) an intr
The theory of coherent resonance tunneling of interacting electrons
International Nuclear Information System (INIS)
Elesin, V. F.
2001-01-01
Analytical solutions of the Schrödinger equation for a two-barrier structure (resonance-tunnel diode) with open boundary conditions are found within the model of coherent tunneling of interacting electrons. Simple expressions for resonance current are derived which enable one to analyze the current-voltage characteristics, the conditions of emergence of hysteresis, and singularities of the latter depending on the parameters of resonance-tunnel diode. It is demonstrated that the hysteresis is realized if the current exceeds some critical value proportional to the square of resonance level width.
Theory and simulations of electron vortices generated by magnetic pushing
Energy Technology Data Exchange (ETDEWEB)
Richardson, A. S.; Angus, J. R.; Swanekamp, S. B.; Schumer, J. W. [Plasma Physics Division, Naval Research Laboratory, Washington, DC 20375 (United States); Ottinger, P. F. [An Independent Consultant through ENGILITY, Chantilly, Virginia 20151 (United States)
2013-08-15
Vortex formation and propagation are observed in kinetic particle-in-cell (PIC) simulations of magnetic pushing in the plasma opening switch. These vortices are studied here within the electron-magnetohydrodynamic (EMHD) approximation using detailed analytical modeling. PIC simulations of these vortices have also been performed. Strong v×B forces in the vortices give rise to significant charge separation, which necessitates the use of the EMHD approximation in which ions are fixed and the electrons are treated as a fluid. A semi-analytic model of the vortex structure is derived, and then used as an initial condition for PIC simulations. Density-gradient-dependent vortex propagation is then examined using a series of PIC simulations. It is found that the vortex propagation speed is proportional to the Hall speed v{sub Hall}≡cB{sub 0}/4πn{sub e}eL{sub n}. When ions are allowed to move, PIC simulations show that the electric field in the vortex can accelerate plasma ions, which leads to dissipation of the vortex. This electric field contributes to the separation of ion species that has been observed to occur in pulsed-power experiments with a plasma-opening switch.
Hoddenbach Elske; Koot Hans M; Clifford Pamela; Gevers Carolien; Clauser Cassandra; Boer Frits; Begeer Sander
2012-01-01
Abstract Background Having a ‘theory of mind’, or having the ability to attribute mental states to oneself or others, is considered one of the most central domains of impairment among children with an autism spectrum disorder (ASD). Many interventions focus on improving theory of mind skills in children with ASD. Nonetheless, the empirical evidence for the effect of these interventions is limited. The main goal of this study is to examine the effectiveness of a short theory of mind interventi...
EUV spectrum of highly charged tungsten ions in electron beam ion trap
International Nuclear Information System (INIS)
Sakaue, H.A.; Kato, D.; Murakami, I.; Nakamura, N.
2016-01-01
We present spectra of highly charged tungsten ions in the extreme ultra-violet (EUV) by using electron beam ion traps. The electron energy dependence of spectra was investigated for electron energy from 540 to 1370 eV. Previously unreported lines were presented in the EUV range, and comparing the wavelengths with theoretical calculations identified them. (author)
Electron-deuteron scattering in a relativistic theory of hadrons
International Nuclear Information System (INIS)
Phillips, D.
1998-11-01
The author reviews a three-dimensional formalism that provides a systematic way to include relativistic effects including relativistic kinematics, the effects of negative-energy states, and the boosts of the two-body system in calculations of two-body bound-states. He then explains how to construct a conserved current within this relativistic three-dimensional approach. This general theoretical framework is specifically applied to electron-deuteron scattering both in impulse approximation and when the ρπγ meson-exchange current is included. The experimentally-measured quantities A, B, and T 20 are calculated over the kinematic range that is probed in Jefferson Lab experiments. The role of both negative-energy states and meson retardation appears to be small in the region of interest
Use of the algebraic coding theory in nuclear electronics
International Nuclear Information System (INIS)
Nikityuk, N.M.
1990-01-01
New results of studies of the development and use of the syndrome coding method in nuclear electronics are described. Two aspects of using the syndrome coding method are considered for sequential coding devices and for the creation of fast parallel data compression devices. Specific examples of the creation of time-to-digital converters based on circular counters are described. Several time intervals can be coded very fast and with a high resolution by means of these converters. The effective coding matrix which can be used for light signal coding. The rule of constructing such coding matrices for arbitrary number of channels and multiplicity n is given. The methods for solving ambiguities in silicon detectors and for creating the special-purpose processors for high-energy spectrometers are given. 21 refs.; 9 figs.; 3 tabs
Bend-imitating theory and electron scattering in sharply-bent quantum nanowires
International Nuclear Information System (INIS)
Vakhnenko, O.O.
2011-01-01
The concept of bend-imitating description as applied to the one-electron quantum mechanics in sharply-bent ideal electron waveguides and its development into a self consistent theory are presented. In the framework of bend-imitating approach, the investigation of the electron scattering in a doubly-bent 2D quantum wire with S-like bend has been made, and the explicit dependences of the transmission and reflection coefficients on geometrical parameters of a structure, as well as on the electron energy, have been obtained. The total elimination of the mixing between the scattering channels of a S-like bent quantum wire is predicted.
Transport equation theory of electron backscattering and x-ray production
International Nuclear Information System (INIS)
Fathers, D.J.; Rez, P.
1978-02-01
A transport equation theory of electron backscattering and x ray production is derived and applied to energy dissipation of 30-KeV electrons for copper as a function of depth and to the energy distribution of backscattered electrons for copper, aluminum, and gold. These results are plotted and compared with experiment. Plots for variations of backscattering with atomic number and with angle of incidence, and polar plots of backscattering for 30-keV electrons at normal incidence are also presented. 10 references, seven figures
Electronic Structures of Strained InAs x P1-x by Density Functional Theory.
Lee, Seung Mi; Kim, Min-Young; Kim, Young Heon
2018-09-01
We investigated the effects of strain on the electronic structures of InAsxP1-x using quantum mechanical density functional theory calculations. The electronic band gap and electron effective mass decreased with the increase of the uniaxial tensile strain along the [0001] direction of wurtzite InAs0.75P0.25. Therefore, faster electron movements are expected. These theoretical results are in good agreement with the experimental measurements of InAs0.75P0.25 nanowire.
Theory of lithium islands and monolayers: Electronic structure and stability
International Nuclear Information System (INIS)
Quassowski, S.; Hermann, K.
1995-01-01
Systematic calculations on planar clusters and monolayers of lithium are performed to study geometries and stabilities of the clusters as well as their convergence behavior with increasing cluster size. The calculations are based on ab initio methods using density-functional theory within the local-spin-density approximation for exchange and correlation. The optimized nearest-neighbor distances d NN of the Li n clusters, n=1,...,25, of both hexagonal and square geometry increase with cluster size, converging quite rapidly towards the monolayer results. Further, the cluster cohesive energies E c increase with cluster size and converge towards the respective monolayer values that form upper bounds. Clusters of hexagonal geometry are found to be more stable than square clusters of comparable size, consistent with the monolayer results. The size dependence of the cluster cohesive energies can be described approximately by a coordination model based on the concept of pairwise additive nearest-neighbor binding. This indicates that the average binding in the Li n clusters and their relative stabilities can be explained by simple geometric effects which derive from the nearest-neighbor coordination
Electronic absorption spectrum of copper-doped magnesium potassium phosphate hexahydrate
Rao, S. N.; Sivaprasad, P.; Reddy, Y. P.; Rao, P. S.
1992-04-01
The optical absorption and EPR spectra of magnesium potassium phosphate hexahydrate (MPPH) doped with copper ions are recorded both at room and liquid nitrogen temperatures. The spectrum is characteristic of Cu2+ in tetragonal symmetry. The spin-Hamiltonian parameters and molecular orbital coefficients are evaluated. A correlation between EPR and optical absorption studies is drawn.
Electronic structure of EuN: Growth, spectroscopy, and theory
DEFF Research Database (Denmark)
Richter, J. H.; Ruck, B.J.; Simpson, M.
2011-01-01
and the lowest-lying 8S multiplet. The Hubbard-I model is also in good agreement with purely atomic multiplet calculations for the Eu M-edge XAS. LSDA+U and DMFT calculations find a metallic ground state, while QSGW results predict a direct band gap at X for EuN of about 0.9 eV that matches closely an absorption...... and QSGW models capture the density of conduction band states better than does LSDA+U. Only the Hubbard-I model contains a correct description of the Eu 4f atomic multiplets and locates their energies relative to the band states, and we see some evidence in XAS for hybridization between the conduction band...... edge seen in optical transmittance at 0.9 eV, and a smaller indirect gap. Overall, the combination of theoretical methods and spectroscopies provides insights into the complex nature of the electronic structure of this material. The results imply that EuN is a narrow-band-gap semiconductor that lies...
Lauvin, M-A; Martineau, J; Destrieux, C; Andersson, F; Bonnet-Brilhault, F; Gomot, M; El-Hage, W; Cottier, J-P
2012-03-01
Autism is a pervasive disorder of childhood development. Polymorphous clinical profiles combining various degrees of communication and social interaction with restricted and stereotyped behaviour are grouped under the heading of 'autism spectrum disorders' (ASD). Many teams are trying to pick out the underlying cerebral abnormalities in order to understand the neuronal networks involved in relationships with others. Here we review the morphological, spectroscopic and functional abnormalities in the amygdala-hippocampal circuit, the caudate nuclei, the cerebellum, and the frontotemporal regions, which have been described in subjects with ASD. White matter abnormalities have also been described in diffusion tensor imaging, leading to suspected damage to the subjacent neural networks, such as mirror neurones or the social brain. Copyright Â© 2012 Éditions Françaises de radiologie. Published by Elsevier Masson SAS. All rights reserved.
Time-dependent density functional theory for many-electron systems interacting with cavity photons.
Tokatly, I V
2013-06-07
Time-dependent (current) density functional theory for many-electron systems strongly coupled to quantized electromagnetic modes of a microcavity is proposed. It is shown that the electron-photon wave function is a unique functional of the electronic (current) density and the expectation values of photonic coordinates. The Kohn-Sham system is constructed, which allows us to calculate the above basic variables by solving self-consistent equations for noninteracting particles. We suggest possible approximations for the exchange-correlation potentials and discuss implications of this approach for the theory of open quantum systems. In particular we show that it naturally leads to time-dependent density functional theory for systems coupled to the Caldeira-Leggett bath.
Institute of Scientific and Technical Information of China (English)
无
2010-01-01
The valence electron structure (VES) of RuB2 and OsB2 were calculated by the empirical electron theory (EET) of solids and molecules and compared with the results derived from the first-principles calculations. The distributions of covalent electrons in different bonds indicate that B-B and B-Me have remarkably covalent bonding characters. Lattice electrons cruising around Me-Me layers are found to have great influences on electronic conductivity and high temperature plasticity. The ultra-high values of elastic constant Cn in the two compounds originate from close-packed covalent bonding along the c axis. Uneven bond strengths and distributions of covalent bonds, especially for B-Afe bonds, yield significant anisotropy. Low ratios of lattice electrons to covalent electrons suggest the intrinsic embrittlement in crystals. The fact that the calculated cohesive energies well agree with experimental results demonstrates the good suitability of the EET calculations in estimating cohesive energy for transition-metal borides.
Renormalization theory of beam-beam interaction in electron-positron colliders
International Nuclear Information System (INIS)
Chin, Y.H.
1989-07-01
This note is devoted to explaining the essence of the renormalization theory of beam-beam interaction for carrying out analytical calculations of equilibrium particle distributions in electron-positron colliding beam storage rings. Some new numerical examples are presented such as for betatron tune dependence of the rms beam size. The theory shows reasonably good agreements with the results of computer simulations. 5 refs., 6 figs
Phonon-induced renormalization of the electron spectrum of biased bilayer graphene
Kryuchkov, S. V.; Kukhar, E. I.
2018-05-01
The effect of the electron-phonon interaction on the electron subsystem of the bilayer graphene has been investigated in the case when there is a potential bias between the graphene layers. The electron-phonon interaction has been shown to lead to increasing of the curvature of the lower dispersion branch of the conduction band of the bigraphene in the vicinity of the Dirac point. The latter corresponds to the decreasing of the absolute value of the electron effective mass. The corresponding correction to the effective mass has been calculated. Dependence of this correction on the bias has been investigated. Influence of such effect on the bigraphene conductivity is discussed.
International Nuclear Information System (INIS)
Quinn, C.M.; Schwartz, M.E.
1981-01-01
The chemistry of large systems such as clusters may be readily investigated by valence-electron theories based on model potentials, but such an approach does not allow for the examination of core-electron binding energies which are commonly measured experimentally for such systems. Here we merge our previously developed Gaussian based valence-electron model potential theory with all-electron ab initio theory to allow for the calculation of core orbital binding energies when desired. For the atoms whose cores are to be examined, we use the real nuclear changes, all of the electrons, and the appropriate many-electron basis sets. For the rest of the system we use reduced nuclear charges, the Gaussian based model potentials, only the valence electrons, and appropriate valence-electron basis sets. Detailed results for neutral Al 2 are presented for the cases of all-electron, mixed real--model, and model--model SCF--MO calculations. Several different all-electron and valence electron calculations have been done to test the use of the model potential per se, as well as the effect of basis set choice. The results are in all cases in excellent agreement with one another. Based on these studies, a set of ''double-zeta'' valence and all-electron basis functions have been used for further SCF--MO studies on Al 3 , Al 4 , AlNO, and OAl 3 . For a variety of difference combinations of real and model atoms we find excellent agreement for relative total energies, orbital energies (both core and valence), and Mulliken atomic populations. Finally, direct core-hole-state ionic calculations are reported in detail for Al 2 and AlNO, and noted for Al 3 and Al 4 . Results for corresponding frozen-orbital energy differences, relaxed SCF--MO energy differences, and relaxation energies are in all cases in excellent agreement (never differing by more than 0.07 eV, usually by somewhat less). The study clearly demonstrates the accuracy of the mixed real--model theory
Directory of Open Access Journals (Sweden)
Muhammad Mus-’ab Anas
2015-01-01
Full Text Available This paper presents a systematic study of the absorption spectrum of various sizes of small hydrogenated silicon quantum dots of quasi-spherical symmetry using the time-dependent density functional theory (TDDFT. In this study, real-time and real-space implementation of TDDFT involving full propagation of the time-dependent Kohn-Sham equations were used. The experimental results for SiH4 and Si5H12 showed good agreement with other earlier calculations and experimental data. Then these calculations were extended to study larger hydrogenated silicon quantum dots with diameter up to 1.6 nm. It was found that, for small quantum dots, the absorption spectrum is atomic-like while, for relatively larger (1.6 nm structure, it shows bulk-like behavior with continuous plateau with noticeable peak. This paper also studied the absorption coefficient of silicon quantum dots as a function of their size. Precisely, the dependence of dot size on the absorption threshold is elucidated. It was found that the silicon quantum dots exhibit direct transition of electron from HOMO to LUMO states; hence this theoretical contribution can be very valuable in discerning the microscopic processes for the future realization of optoelectronic devices.
Lind, Sophie E; Bowler, Dermot M
2009-06-01
This study aimed to test the hypothesis that children with autism spectrum disorder (ASD) use their knowledge of complement syntax as a means of "hacking out" solutions to false belief tasks, despite lacking a representational theory of mind (ToM). Participants completed a "memory for complements" task, a measure of receptive vocabulary, and traditional location change and unexpected contents false belief tasks. Consistent with predictions, the correlation between complement syntax score and location change task performance was significantly stronger within the ASD group than within the comparison group. However, contrary to predictions, complement syntax score was not significantly correlated with unexpected contents task performance within either group. Possible explanations for this pattern of results are considered.
Slaughter, Virginia; Peterson, Candida C; Mackintosh, Emily
2007-01-01
In 2 studies mothers read wordless storybooks to their preschool-aged children; narratives were analyzed for mental state language. Children's theory-of-mind understanding (ToM) was concurrently assessed. In Study 1, children's (N=30; M age 3 years 9 months) ToM task performance was significantly correlated with mothers' explanatory, causal, and contrastive talk about cognition, but not with mothers' simple mentions of cognition. In Study 2, the same pattern was found in an older sample of typically developing children (N=24; M age 4 years 7 months), whereas for children on the autism spectrum (N=24; M age 6 years 7.5 months), ToM task performance was uniquely correlated with mothers' explanatory, causal, and contrastive talk about emotions.
Mazza, Monica; Mariano, Melania; Peretti, Sara; Masedu, Francesco; Pino, Maria Chiara; Valenti, Marco
2017-05-01
Individuals with autism spectrum disorders (ASD) show significant impairments in social skills and theory of mind (ToM). The aim of this study was to evaluate ToM and social information processing abilities in 52 children with ASD compared to 55 typically developing (TD) children. A mediation analysis evaluated whether social information processing abilities can be mediated by ToM competences. In our results, children with autism showed a deficit in social skills and ToM components. The innovative results of our study applying mediation analysis demonstrate that ToM plays a key role in the development of social abilities, and the lack of ToM competences in children with autism impairs their competent social behavior.
Lind, Sophie E; Bowler, Dermot M
2009-09-01
This study investigated semantic and episodic memory in autism spectrum disorder (ASD), using a task which assessed recognition and self-other source memory. Children with ASD showed undiminished recognition memory but significantly diminished source memory, relative to age- and verbal ability-matched comparison children. Both children with and without ASD showed an "enactment effect", demonstrating significantly better recognition and source memory for self-performed actions than other-person-performed actions. Within the comparison group, theory-of-mind (ToM) task performance was significantly correlated with source memory, specifically for other-person-performed actions (after statistically controlling for verbal ability). Within the ASD group, ToM task performance was not significantly correlated with source memory (after controlling for verbal ability). Possible explanations for these relations between source memory and ToM are considered.
ELECTRON CYCLOTRON CURRENT DRIVE IN DIII-D: EXPERIMENT AND THEORY
International Nuclear Information System (INIS)
PRATER, R; PETTY, CC; LUCE, TC; HARVEY, RW; CHOI, M; LAHAYE, RJ; LIN-LIU, Y-R; LOHR, J; MURAKAMI, M; WADE, MR; WONG, K-L
2003-01-01
A271 ELECTRON CYCLOTRON CURRENT DRIVE IN DIII-D: EXPERIMENT AND THEORY. Experiments on the DIII-D tokamak in which the measured off-axis electron cyclotron current drive has been compared systematically to theory over a broad range of parameters have shown that the Fokker-Planck code CQL3D provides an excellent model of the relevant current drive physics. This physics understanding has been critical in optimizing the application of ECCD to high performance discharges, supporting such applications as suppression of neoclassical tearing modes and control and sustainment of the current profile
Zhumagulov, Yaroslav V.; Krasavin, Andrey V.; Kashurnikov, Vladimir A.
2018-05-01
The method is developed for calculation of electronic properties of an ensemble of metal nanoclusters with the use of cluster perturbation theory. This method is applied to the system of gold nanoclusters. The Greens function of single nanocluster is obtained by ab initio calculations within the framework of the density functional theory, and then is used in Dyson equation to group nanoclusters together and to compute the Greens function as well as the electron density of states of the whole ensemble. The transition from insulator state of a single nanocluster to metallic state of bulk gold is observed.
Dittmann, Niklas; Splettstoesser, Janine; Helbig, Nicole
2018-04-01
We simulate the dynamics of a single-electron source, modeled as a quantum dot with on-site Coulomb interaction and tunnel coupling to an adjacent lead in time-dependent density-functional theory. Based on this system, we develop a time-nonlocal exchange-correlation potential by exploiting analogies with quantum-transport theory. The time nonlocality manifests itself in a dynamical potential step. We explicitly link the time evolution of the dynamical step to physical relaxation timescales of the electron dynamics. Finally, we discuss prospects for simulations of larger mesoscopic systems.
International Nuclear Information System (INIS)
Wang Jingyao; Zhang Guangyang
1993-01-01
The authors reported the application of SCORPIO--2000 Computer detecting system on a nuclear fusion equipment, to measure the energy spectrum of soft X-ray from which the plasma electronic temperature was calculated. The authors processed systematically the data of the energy area of 1-4 Kev soft X-ray. The program edited was mostly made in FORTRAN, but only one SUBSB was made in assembly language. The program worked normally with convincing operation and easy correction of the data. The result obtained from calculation is the same as what was expected and the diagram obtained is the same as the expected one
On the Fokker-Planck theory of electron three-body recombination
International Nuclear Information System (INIS)
Sayasov, Yu. S.
1977-01-01
The Fokker-Planck theory of electron three-body recombination based on the concept of electron diffusion along the energy scale in the excited hydrogen-like atoms formed in the recombining plasmas, is extended in several respects. 1) An universal formula for population distribution of the excited atoms in strongly ionized plasmas was found under a sole assumption, that the cross-sections for the inelastic atom-electron collisions are governed by the classical impulse approximation. 2) A general Fokker-Planck theory of the recombination in a slightly ionized, two-temperature plasmas was formulated. The recombination coefficients for such plasmas were shown to possess some peculiar properties in case the electronic temperature differs appreciable from the atomic one. A few limitations of the existing schemas for calculation of the recombination kinetics are briefly discussed. (orig.) [de
Pehrs, Corinna; Samson, Andrea C.; Gross, James J.
2015-06-01
Autism Spectrum Disorder (ASD) is a neurodevelopmental disorder characterized by social and communication deficits as well as restricted and repetitive behaviors [1]. Specific deficits include failure to initiate reciprocal social interactions, verbal and non-verbal communication difficulties, decreased sensitivity to social and emotional cues, and limited perspective-taking abilities. Social withdrawal, avoidance or indifference to affection or physical contact, lack of eye contact, and decreased joint attention and facial responsiveness are also common [2]. In addition to these core features, there is a growing body of literature that describes problematic patterns of emotional reactivity (increased negative and decreased positive emotions) and emotion regulation (increased use of maladaptive and decreased use of adaptive emotion regulation strategies) [3-5]. The present comment seeks to link difficulties in socio-emotional domains to the Quartet Theory of Human Emotions by mapping characteristic ASD social deficits and emotion dysregulation onto two of the affect systems described in this theory: the hippocampal and orbitofrontal-centered systems.
International Nuclear Information System (INIS)
Lemons, Don S.
2012-01-01
We develop a Markov process theory of charged particle scattering from stationary, transverse, magnetic waves. We examine approximations that lead to quasilinear theory, in particular the resonant diffusion approximation. We find that, when appropriate, the resonant diffusion approximation simplifies the result of the weak turbulence approximation without significant further restricting the regime of applicability. We also explore a theory generated by expanding drift and diffusion rates in terms of a presumed small correlation time. This small correlation time expansion leads to results valid for relatively small pitch angle and large wave energy density - a regime that may govern pitch angle scattering of high-energy electrons into the geomagnetic loss cone.
Nonlinear power spectrum from resummed perturbation theory: a leap beyond the BAO scale
International Nuclear Information System (INIS)
Anselmi, Stefano; Pietroni, Massimo
2012-01-01
A new computational scheme for the nonlinear cosmological matter power spectrum (PS) is presented. Our method is based on evolution equations in time, which can be cast in a form extremely convenient for fast numerical evaluations. A nonlinear PS is obtained in a time comparable to that needed for a simple 1-loop computation, and the numerical implementation is very simple. Our results agree with N-body simulations at the percent level in the BAO range of scales, and at the few-percent level up to k ≅ 1 h/Mpc at z∼>0.5, thereby opening the possibility of applying this tool to scales interesting for weak lensing. We clarify the approximations inherent to this approach as well as its relations to previous ones, such as the Time Renormalization Group, and the multi-point propagator expansion. We discuss possible lines of improvements of the method and its intrinsic limitations by multi streaming at small scales and low redshifts
Autistic spectrum disorders: A review of clinical features, theories and diagnosis.
Fakhoury, Marc
2015-06-01
Autism spectrum disorder (ASD) is a set of neurodevelopmental disorders that is among the most severe in terms of prevalence, morbidity and impact to the society. It is characterized by complex behavioral phenotype and deficits in both social and cognitive functions. Although the exact cause of ASD is still not known, the main findings emphasize the role of genetic and environmental factors in the development of autistic behavior. Environmental factors are also likely to interact with the genetic profile and cause aberrant changes in brain growth, neuronal development, and functional connectivity. The past few years have seen an increase in the prevalence of ASD, as a result of enhanced clinical tests and diagnostic tools. Despite growing evidence for the involvement of endogenous biomarkers in the pathophysiology of ASD, early detection of this disorder remains a big challenge. This paper describes the main behavioral and cognitive features of ASD, as well as the symptoms that differentiate autism from other developmental disorders. An attempt will be made to integrate all the available evidence which point to reduced brain connectivity, mirror neurons deficits, and inhibition-excitation imbalance in individuals with ASD. Finally, this review discusses the main factors involved in the pathophysiology of ASD, and illustrates some of the most important markers used for the diagnosis of this debilitating disorder. Copyright © 2015 Elsevier Ltd. All rights reserved.
Quantum numbers of anti-grand-unified-theory Higgs fields from the quark-lepton spectrum
International Nuclear Information System (INIS)
Froggatt, C.D.; Nielsen, H.B.; Smith, D.J.
2002-01-01
A series of Higgs field quantum numbers in the anti-grand-unification model, based on the gauge group SMG 3 xU(1) f , is tested against the spectrum of quark and lepton masses and mixing angles. A more precise formulation of the statement that the couplings are assumed of order unity is given. It is found that the corrections coming from this more precise assumption do not contain factors of the order of the number of colors, N c =3, as one could have feared. We also include a combinatorial correction factor, taking account of the distinct internal orderings within the chain Feynman diagrams in our statistical estimates. Strictly speaking our model predicts that the uncertainty in its predictions and thus the accuracy of our fits should be ±60%. Many of the best fitting quantum numbers give a higher accuracy fit to the masses and mixing angles, although within the expected fluctuations in a χ 2 . This means that our fit is as good as it can possibly be
Enhanced symmetries of gauge theory and resolving the spectrum of local operators
International Nuclear Information System (INIS)
Kimura, Yusuke; Ramgoolam, Sanjaye
2008-01-01
Enhanced global non-Abelian symmetries at zero coupling in Yang Mills theory play an important role in diagonalizing the two-point functions of multimatrix operators. Generalized Casimirs constructed from the iterated commutator action of these enhanced symmetries resolve all the multiplicity labels of the bases of matrix operators which diagonalize the two-point function. For the case of U(N) gauge theory with a single complex matrix in the adjoint of the gauge group we have a U(N) x4 global symmetry of the scaling operator at zero coupling. Different choices of commuting sets of Casimirs, for the case of a complex matrix, lead to the restricted Schur basis previously studied in connection with string excitations of giant gravitons and the Brauer basis studied in connection with brane-antibrane systems. More generally these remarks can be extended to the diagonalization for any global symmetry group G. Schur-Weyl duality plays a central role in connecting the enhanced symmetries and the diagonal bases.
Theory of mind understanding and empathic behavior in children with autism spectrum disorders.
Peterson, Candida
2014-12-01
This paper begins with a review of past research on theory of mind and empathy in children with ASD. Using varied operational definitions of empathy ranging from physiological heart rate through story vignettes to reports by privileged observers (e.g., teachers) of children's empathic behavior, results of previous studies are limited and contradictory. Thus new evidence is needed to answer two key questions: Are children with ASD less empathic than typically developing children? Do individual differences in theory of mind (ToM) understanding among children with ASD predict differences in their behavioral empathy? An original empirical study of 76 children aged 3-12 years (37 with ASD; 39 with typical development) addressed these. Results showed that children with ASD were significantly less empathic, according to their teachers, than typically developing children. However, this was not because of their slower ToM development. Findings showed equally clearly that ToM understanding was unrelated to empathy in children with ASD. The same was true for typically developing children once age and verbal maturity were controlled. Indeed, even the subgroup of older children with ASD in the sample who passed false belief tests were significantly less empathic than younger preschoolers who failed them. Copyright © 2014 ISDN. Published by Elsevier Ltd. All rights reserved.
Chern-Simons field theory of two-dimensional electrons in the lowest Landau level
International Nuclear Information System (INIS)
Zhang, L.
1996-01-01
We propose a fermion Chern-Simons field theory describing two-dimensional electrons in the lowest Landau level. This theory is constructed with a complete set of states, and the lowest-Landau-level constraint is enforced through a δ functional described by an auxiliary field λ. Unlike the field theory constructed directly with the states in the lowest Landau level, this theory allows one, utilizing the physical picture of open-quote open-quote composite fermion,close-quote close-quote to study the fractional quantum Hall states by mapping them onto certain integer quantum Hall states; but, unlike its application in the unconstrained theory, such a mapping is sensible only when interactions between electrons are present. An open-quote open-quote effective mass,close-quote close-quote which characterizes the scale of low energy excitations in the fractional quantum Hall systems, emerges naturally from our theory. We study a Gaussian effective theory and interpret physically the dressed stationary point equation for λ as an equation for the open-quote open-quote mass renormalization close-quote close-quote of composite fermions. copyright 1996 The American Physical Society
Trapped Electron Instability of Electron Plasma Waves: Vlasov simulations and theory
Berger, Richard; Chapman, Thomas; Brunner, Stephan
2013-10-01
The growth of sidebands of a large-amplitude electron plasma wave is studied with Vlasov simulations for a range of amplitudes (. 001 vph = +/-ωbe , where vph =ω0 /k0 and ωbe is the bounce frequency of a deeply trapped electron. In 2D simulations, we find that the instability persists and co-exists with the filamentation instability. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344 and funded by the Laboratory Research and Development Program at LLNL under project tracking code 12-ERD.
International Nuclear Information System (INIS)
Babkov, L.M.; Korolevich, M.V.; Moisejkina, E.A.
2010-01-01
Structural-dynamic models of methyl-b-D-glucopyranoside have been constructed by a density functional method using a B3LYP functional in bases 6-31G(d) and 6-31+G(d,p). Energies have been minimized. Structures, dipole moments, polarizabilities, frequencies of normal modes in the harmonic approximation, and the intensity distribution in the molecular IR spectrum have been calculated. The calculation results have been compared with both the experimental spectra of methyl-b-D-glucopyranoside in the region 400-3700 cm -1 and data obtained within the framework of an approach that uses the classical valence-force method to calculate normal mode frequencies and the quantum-chemical CNDO/2 technique to calculate the electronic structure. (authors)
Iao, Lai-Sang; Leekam, Susan R
2014-06-01
Understanding of false belief has long been considered to be a crucial aspect of "theory of mind" that can be explained by a domain-specific mechanism. We argue against this claim using new evidence from a nonverbal false representation task (false-sign task) with typically developing children and children with autism spectrum disorders (ASD). Experiments 1 and 2 showed that typically developing children (mean age=62.67months) were equivalent in their performance across nonverbal and verbal forms of both the false-belief and false-sign tasks. Results for these two misrepresentation tasks differed from the results of an outdated representation task ("false"-photograph task). Experiment 3 showed that children with ASD had difficulties with the false representation tasks, and this could not be explained by executive functioning or language impairments. These findings support the view that children with ASD might not have a specific theory-of-mind deficit. Copyright © 2013 Elsevier Inc. All rights reserved.
Design and Analysis of an Electron Gun/Booster and Free Electron Laser Optical Theory
2010-09-01
105 65. Stanford DC gun equipotentials . . . . . . . . . . . . . . . . . . . . . . 106 66. Energy plots for various electrode ratios...222 121. Graphical Cross-correlation Demonstration . . . . . . . . . . . . . . . . 223 122. 2D cross-correlation surface ...them enough energy to escape the metal’s surface . Once free of the metal, the electric field accelerates the electrons toward an anode. If the anode is
Electronic properties of T graphene-like C-BN sheets: A density functional theory study
Majidi, R.
2015-11-01
We have used density functional theory to study the electronic properties of T graphene-like C, C-BN and BN sheets. The planar T graphene with metallic property has been considered. The results show that the presence of BN has a considerable effect on the electronic properties of T graphene. The T graphene-like C-BN and BN sheets show semiconducting properties. The energy band gap is increased by enhancing the number of BN units. The possibility of opening and controlling band gap opens the door for T graphene in switchable electronic devices.
International Nuclear Information System (INIS)
Bogdanov, A.T.
1990-01-01
The nonlinear evolution of an initially monoenergetic [ν-bar(t = 0) = (0,0,u)] electron beam propagating in a nonmagnetized dielectric medium of permittivity ε > 1, with initial velocity u ≥ c/√ε (where c is the vacuum speed of light) is investigated. The specific instability of the beam under such conditions is the cause of the generation of a broad spectrum of transverse electromagnetic waves coupled to the simultaneous excitation of the second harmonic of the beam's oscillations, both at the expense of the beam's initial kinetic energy. The system of self-consistent nonlinear equations, describing the particle-field dynamics, is treated in the spirit of the weak-turbulence approach. The integrals of the resulting nonlinear system of equations for the amplitudes of the fields of the electron density are used to evaluate the spectral distribution of the amplitudes in the saturation phase, and hence the efficiency of the transformation of the beam's energy into electromagnetic radiation as a function of the width of the spectrum of the initially present electromagnetic fluctuations. A substantial increase in this efficiency is observed in comparison with the single-mode case. (author)
THE HIGH-RESOLUTION EXTREME-ULTRAVIOLET SPECTRUM OF N{sub 2} BY ELECTRON IMPACT
Energy Technology Data Exchange (ETDEWEB)
Heays, A. N. [Leiden Observatory, Leiden University, P.O. Box 9513, 2300 RA Leiden (Netherlands); Ajello, J. M.; Aguilar, A. [Jet Propulsion Laboratory, California Institute of Technology, Pasadena, CA 91109 (United States); Lewis, B. R.; Gibson, S. T., E-mail: heays@strw.leidenuniv.nl [Research School of Physics and Engineering, The Australian National University, Canberra, ACT 0200 (Australia)
2014-04-01
We have analyzed high-resolution (FWHM = 0.2 Å) extreme-ultraviolet (EUV, 800-1350 Å) laboratory emission spectra of molecular nitrogen excited by an electron impact at 20 and 100 eV under (mostly) optically thin, single-scattering experimental conditions. A total of 491 emission features were observed from N{sub 2} electronic-vibrational transitions and atomic N I and N II multiplets and their emission cross sections were measured. Molecular emission was observed at vibrationally excited ground-state levels as high as v'' = 17, from the a {sup 1}Π {sub g} , b {sup 1}Π {sub u} , and b'{sup 1}Σ {sub u} {sup +} excited valence states and the Rydberg series c'{sub n} {sub +1} {sup 1}Σ {sub u} {sup +}, c{sub n} {sup 1}Π {sub u} , and o{sub n} {sup 1}Π {sub u} for n between 3 and 9. The frequently blended molecular emission bands were disentangled with the aid of a sophisticated and predictive quantum-mechanical model of excited states that includes the strong coupling between valence and Rydberg electronic states and the effects of predissociation. Improved model parameters describing electronic transition moments were obtained from the experiment and allowed for a reliable prediction of the vibrationally summed electronic emission cross section, including an extrapolation to unobserved emission bands and those that are optically thick in the experimental spectra. Vibrationally dependent electronic excitation functions were inferred from a comparison of emission features following 20 and 100 eV electron-impact collisional excitation. The electron-impact-induced fluorescence measurements are compared with Cassini Ultraviolet Imaging Spectrograph observations of emissions from Titan's upper atmosphere.
Linear-response theory of Coulomb drag in coupled electron systems
DEFF Research Database (Denmark)
Flensberg, Karsten; Hu, Ben Yu-Kuang; Jauho, Antti-Pekka
1995-01-01
We report a fully microscopic theory for the transconductivity, or, equivalently, the momentum transfer rate, of Coulomb coupled electron systems. We use the Kubo linear-response formalism and our main formal result expresses the transconductivity in terms of two fluctuation diagrams, which...
Ferwerda, H.A.; Hoenders, B.J.; Slump, C.H.
The fully relativistic quantum mechanical treatment of paraxial electron-optical image formation initiated in the previous paper (this issue) is worked out and leads to a rigorous foundation of the linear transfer theory. Moreover, the status of the relativistic scaling laws for mass and wavelength,
A multidimensional theory for electron trapping by a plasma wake generated in the bubble regime
International Nuclear Information System (INIS)
Kostyukov, I; Nerush, E; Pukhov, A; Seredov, V
2010-01-01
We present a theory for electron self-injection in nonlinear, multidimensional plasma waves excited by a short laser pulse in the bubble regime or by a short electron beam in the blowout regime. In these regimes, which are typical for electron acceleration in the last impressive experiments, the laser radiation pressure or the electron beam charge pushes out plasma electrons from some region, forming a plasma cavity or a bubble with a huge ion charge. The plasma electrons can be trapped in the bubble and accelerated by the plasma wakefields up to a very high energy. We derive the condition of the electron trapping in the bubble. The developed theory predicts the trapping cross section in terms of the bubble radius and the bubble velocity. It is found that the dynamic bubble deformations observed in the three-dimensional (3D) particle-in-cell (PIC) simulations influence the trapping process significantly. The bubble elongation reduces the gamma-factor of the bubble, thereby strongly enhancing self-injection. The obtained analytical results are in good agreement with the 3D PIC simulations.
International Workshop on Electronic Density Functional Theory : Recent Progress and New Directions
Vignale, Giovanni; Das, Mukunda
1998-01-01
This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a great mixer. Invited experts from North America, Europe, and Australia mingled with students from several disciplines, rapidly taking up the informal style for which Australia is famous. A list of participants is given at the end of the book. Density functional theory (DFT) is a subtle approach to the very difficult problem of predicting the behavior of many interacting particles. A major application is the study of many-electron systems. This was the workshop theme, embracing inter alia computational chemistry and condensed matter physics. DFT circumvents the more conceptually straightforward (but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on r...
International Nuclear Information System (INIS)
Astapenko, V.A.; Bureeva, L.A.; Lisitsa, V.S.
2000-01-01
Classical and quantum theories of polarization bremsstrahlung in a statistical (Thomas-Fermi) potential of complex atoms and ions are developed. The basic assumptions of the theories correspond to the approximations employed earlier in classical and quantum calculations of ordinary bremsstrahlung in a static potential. This makes it possible to study on a unified basis the contribution of both channels in the radiation taking account of their interference. The classical model makes it possible to obtain simple universal formulas for the spectral characteristics of the radiation. The theory is applied to electrons with moderate energies, which are characteristic for plasma applications, specifically, radiation from electrons on the argon-like ion KII at frequencies close to its ionization potential. The computational results show the importance of taking account of the polarization channel of the radiation for plasma with heavy ions
Finite volume spectrum of 2D field theories from Hirota dynamics
International Nuclear Information System (INIS)
Gromov, Nikolay; Kazakov, Vladimir; Vieira, Pedro; Univ. do Porto
2008-12-01
We propose, using the example of the O(4) sigma model, a general method for solving integrable two dimensional relativistic sigma models in a finite size periodic box. Our starting point is the so-called Y-system, which is equivalent to the thermodynamic Bethe ansatz equations of Yang and Yang. It is derived from the Zamolodchikov scattering theory in the cross channel, for virtual particles along the non-compact direction of the space-time cylinder. The method is based on the integrable Hirota dynamics that follows from the Y-system. The outcome is a nonlinear integral equation for a single complex function, valid for an arbitrary quantum state and accompanied by the finite size analogue of Bethe equations. It is close in spirit to the Destri-deVega (DdV) equation. We present the numerical data for the energy of various states as a function of the size, and derive the general Luescher-type formulas for the finite size corrections. We also re-derive by our method the DdV equation for the SU(2) chiral Gross-Neveu model. (orig.)
Rayka, Milad; Goli, Mohammad; Shahbazian, Shant
2018-02-07
An effective set of Hartree-Fock (HF) equations are derived for electrons of muonic systems, i.e., molecules containing a positively charged muon, conceiving the muon as a quantum oscillator, which are completely equivalent to the usual two-component HF equations used to derive stationary states of the muonic molecules. In these effective equations, a non-Coulombic potential is added to the orthodox coulomb and exchange potential energy terms, which describes the interaction of the muon and the electrons effectively and is optimized during the self-consistent field cycles. While in the two-component HF equations a muon is treated as a quantum particle, in the effective HF equations it is absorbed into the effective potential and practically transformed into an effective potential field experienced by electrons. The explicit form of the effective potential depends on the nature of muon's vibrations and is derivable from the basis set used to expand the muonic spatial orbital. The resulting effective Hartree-Fock equations are implemented computationally and used successfully, as a proof of concept, in a series of muonic molecules containing all atoms from the second and third rows of the Periodic Table. To solve the algebraic version of the equations muon-specific Gaussian basis sets are designed for both muon and surrounding electrons and it is demonstrated that the optimized exponents are quite distinct from those derived for the hydrogen isotopes. The developed effective HF theory is quite general and in principle can be used for any muonic system while it is the starting point for a general effective electronic structure theory that incorporates various types of quantum correlations into the muonic systems beyond the HF equations.
Theory of emission spectra from metal films irradiated by low energy electrons near normal incidence
International Nuclear Information System (INIS)
Kretschmann, E.; Callcott, T.A.; Arakawa, E.T.
1980-01-01
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. (orig.)
Osherovich, V. A.; Fainberg, J.
2018-01-01
We consider simultaneous oscillations of electrons moving both along the axis of symmetry and also in the direction perpendicular to the axis. We derive a system of three nonlinear ordinary differential equations which describe self-similar oscillations of cold electrons in a constant proton density background (np = n0 = constant). These three equations represent an exact class of solutions. For weak nonlinear conditions, the frequency spectra of electric field oscillations exhibit split frequency behavior at the Langmuir frequency ωp0 and its harmonics, as well as presence of difference frequencies at low spectral values. For strong nonlinear conditions, the spectra contain peaks at frequencies with values ωp0(n +m √{2 }) , where n and m are integer numbers (positive and negative). We predict that both spectral types (weak and strong) should be observed in plasmas where axial symmetry may exist. To illustrate possible applications of our theory, we present a spectrum of electric field oscillations observed in situ in the solar wind by the WAVES experiment on the Wind spacecraft during the passage of a type III solar radio burst.
Pulse shape and spectrum of coherent diffraction-limited transition radiation from electron beams
Energy Technology Data Exchange (ETDEWEB)
van Tilborg, J.; Schroeder, C.B.; Esarey, E.; Leemans, W.P.
2003-12-20
The electric field in the temporal and spectral domain of coherent diffraction-limited transition radiation is studied. An electron bunch, with arbitrary longitudinal momentum distribution, propagating at normal incidence to a sharp metal-vacuum boundary with finite transverse dimension is considered. A general expression for the spatiotemporal electric field of the transition radiation is derived, and closed-form solutions for several special cases are given. The influence of parameters such as radial boundary size, electron momentum distribution, and angle of observation on the waveform (e.g., radiation pulse length and amplitude) are discussed. For a Gaussian electron bunch, the coherent radiation waveform is shown to have a single-cycle profile. Application to a novel THz source based on a laser-driven accelerator is discussed.
International Nuclear Information System (INIS)
Sato, Taichi; Nakamura, Takato
1981-01-01
In the extraction of vanadium (IV) from aqueous solutions containing hydrochloric acid and/or a mixture of hydrochloric acid and lithium chloride by bis(2-ethylhexyl) hydrogenphosphate (DEHPA; HX), trioctylmethylammonium chloride (Aliquat-336), trioctylamine (TOA), trioctylphosphine oxide (TOPO) and tributyl phosphate (TBP), the complexes formed in the organic phases have been examined by spectrophotometry and electron spin resonance spectroscopy. It is found that in the extraction by DEHPA, the vanadium in the organic phase exists as the monomeric species, VO(X 2 H) 2 , or the polymeric one, (VOX 2 )sub(n), and that in the extractions by Aliquat-336, TOA, TOPO, and TBP, tetravalent vanadium complexes are stable in the organic phases extracted from a mixed solution of hydrochloric acid and lithium chloride, while complexes containing pentavalent vanadium and VOV 4+ ions are formed in the organic phases extracted from hydrochloric acid solutions. (author)
Photoabsorption Spectrum and Optically Forbidden Transitions of Krypton by Electron Impact
Institute of Scientific and Technical Information of China (English)
苑震生; 朱林繁; 李文斌; 成华东; 徐克尊
2002-01-01
A high resolution fast electron energy loss spectrometer with multi-channel energy analysis was employed. The maxima just above the threshold 4p-1(2P1/2), which is regarded as a shape resonance, was obtained at 16.3 eV. The optically forbidden excitations of 4s electron were measured for the first time, and the energy positions are 23.75 eV(4s-15s), 25.66 eV (4s-16s/4d) and 26.60 eV(4s-17s/5d).
Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models
International Nuclear Information System (INIS)
Saraswati, Teguh Endah; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri
2017-01-01
Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH 3 ). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory. (paper)
Understanding valence-shell electron-pair repulsion (VSEPR) theory using origami molecular models
Endah Saraswati, Teguh; Saputro, Sulistyo; Ramli, Murni; Praseptiangga, Danar; Khasanah, Nurul; Marwati, Sri
2017-01-01
Valence-shell electron-pair repulsion (VSEPR) theory is conventionally used to predict molecular geometry. However, it is difficult to explore the full implications of this theory by simply drawing chemical structures. Here, we introduce origami modelling as a more accessible approach for exploration of the VSEPR theory. Our technique is simple, readily accessible and inexpensive compared with other sophisticated methods such as computer simulation or commercial three-dimensional modelling kits. This method can be implemented in chemistry education at both the high school and university levels. We discuss the example of a simple molecular structure prediction for ammonia (NH3). Using the origami model, both molecular shape and the scientific justification can be visualized easily. This ‘hands-on’ approach to building molecules will help promote understanding of VSEPR theory.
Delange, Pascal; Backes, Steffen; van Roekeghem, Ambroise; Pourovskii, Leonid; Jiang, Hong; Biermann, Silke
2018-04-01
The most intriguing properties of emergent materials are typically consequences of highly correlated quantum states of their electronic degrees of freedom. Describing those materials from first principles remains a challenge for modern condensed matter theory. Here, we review, apply and discuss novel approaches to spectral properties of correlated electron materials, assessing current day predictive capabilities of electronic structure calculations. In particular, we focus on the recent Screened Exchange Dynamical Mean-Field Theory scheme and its relation to generalized Kohn-Sham Theory. These concepts are illustrated on the transition metal pnictide BaCo2As2 and elemental zinc and cadmium.
Minshawi, Noha F.; Hurwitz, Sarah; Morriss, Danielle; McDougle, Christopher J.
2015-01-01
The objective of this review is to consider the psychological (largely behavioral) and biological [neurochemical, medical (including genetic), and pharmacological] theories and approaches that contribute to current thinking about the etiology and treatment of self-injurious behavior (SIB) in individuals with autism spectrum disorder and/or…
Laghi, Fiorenzo; Lonigro, Antonia; Levanto, Simona; Ferraro, Maurizio; Baumgartner, Emma; Baiocco, Roberto
2016-01-01
The study aimed at verifying if nice and nasty theory of mind behaviors, in association with teachers' peer buddy nomination, could be used to correctly select peer models for adolescents with autism spectrum disorder. Mentalizing abilities and emotional and behavioral characteristics of 601 adolescents were assessed. Results suggest that teachers…
Fox, Mary Murphy
2012-01-01
The current study investigated Theory of Mind in young adults with autism. The young adults with autism spectrum disorder (ASD) consisted of four students between the ages of 18 and 19 from an on-campus program for students with autism located at Marywood University in Northeastern Pennsylvania. It was hypothesized that "Mind Reading",…
O'Nions, Elizabeth; Sebastian, Catherine L.; McCrory, Eamon; Chantiluke, Kaylita; Happé, Francesca; Viding, Essi
2014-01-01
Individuals with autism spectrum disorders (ASD) have difficulty understanding other minds (Theory of Mind; ToM), with atypical processing evident at both behavioural and neural levels. Individuals with conduct problems and high levels of callous-unemotional (CU) traits (CP/HCU) exhibit reduced responsiveness to others' emotions and difficulties…
Hutchins, Tiffany L.; Prelock, Patricia A.; Bonazinga, Laura
2012-01-01
Two studies examined the psychometric properties of the Theory of Mind Inventory (ToMI). In Study One, 135 caregivers completed the ToMI for children (ages 3 through 17) with autism spectrum disorder (ASD). Findings revealed excellent test-retest reliability and internal consistency. Principle Components Analysis revealed three subscales related…
Tiwari, Vivek; Peters, William K.; Jonas, David M.
2017-10-01
Non-adiabatic vibrational-electronic resonance in the excited electronic states of natural photosynthetic antennas drastically alters the adiabatic framework, in which electronic energy transfer has been conventionally studied, and suggests the possibility of exploiting non-adiabatic dynamics for directed energy transfer. Here, a generalized dimer model incorporates asymmetries between pigments, coupling to the environment, and the doubly excited state relevant for nonlinear spectroscopy. For this generalized dimer model, the vibrational tuning vector that drives energy transfer is derived and connected to decoherence between singly excited states. A correlation vector is connected to decoherence between the ground state and the doubly excited state. Optical decoherence between the ground and singly excited states involves linear combinations of the correlation and tuning vectors. Excitonic coupling modifies the tuning vector. The correlation and tuning vectors are not always orthogonal, and both can be asymmetric under pigment exchange, which affects energy transfer. For equal pigment vibrational frequencies, the nonadiabatic tuning vector becomes an anti-correlated delocalized linear combination of intramolecular vibrations of the two pigments, and the nonadiabatic energy transfer dynamics become separable. With exchange symmetry, the correlation and tuning vectors become delocalized intramolecular vibrations that are symmetric and antisymmetric under pigment exchange. Diabatic criteria for vibrational-excitonic resonance demonstrate that anti-correlated vibrations increase the range and speed of vibronically resonant energy transfer (the Golden Rule rate is a factor of 2 faster). A partial trace analysis shows that vibronic decoherence for a vibrational-excitonic resonance between two excitons is slower than their purely excitonic decoherence.
Directory of Open Access Journals (Sweden)
Suresh Goyal
1997-01-01
Full Text Available The pervasive shock response spectrum (SRS and damage boundary methods for evaluating product fragility and designing external cushioning for shock protection are described in detail with references to the best available literature. Underlying assumptions are carefully reviewed and the central message of the SRS is highlighted, particularly as it relates to standardized drop testing. Shortcomings of these methods are discussed, and the results are extended to apply to more general systems. Finally some general packaging and shock-mounting strategies are discussed in the context of protecting a fragile disk drive in a notebook computer, although the conclusions apply to other products as well. For example, exterior only cushioning (with low restitution to reduce subsequent impacts will provide a slenderer form factor than the next best strategy: interior cushioning with a “dead” hard outer shell.
Engagement with Electronic Screen Media among Students with Autism Spectrum Disorders
Mineo, Beth A.; Ziegler, William; Gill, Susan; Salkin, Donna
2009-01-01
This study investigated the relative engagement potential of four types of electronic screen media (ESM): animated video, video of self, video of a familiar person engaged with an immersive virtual reality (VR) game, and immersion of self in the VR game. Forty-two students with autism, varying in age and expressive communication ability, were…
Calculated Electronic Behavior and Spectrum of Mg+@C60 Using a Simple Jellium-shell Model
Directory of Open Access Journals (Sweden)
H. A. Schuessler
2004-11-01
Full Text Available Abstract: We present a method for calculating the energy levels and wave functions of any atom or ion with a single valence electron encapsulated in a Fullerene cage using a jelluim-shell model. The valence electron-core interaction is represented by a one-body pseudo-potential obtained through density functional theory with strikingly accurate parameters for Mg+ and which reduces to a purely Coulombic interaction in the case of H. We find that most energy states are affected little by encapsulation. However, when either the electron in the non-encapsulated species has a high probability of being near the jellium cage, or when the cage induces a maximum electron probability density within it, the energy levels shift considerably. Mg+ shows behavior similar to that of H, but since its wave functions are broader, the changes in its energy levels from encapsulation are slightly more pronounced. Agreement with other computational work as well as experiment is excellent and the method presented here is generalizable to any encapsulated species where a one-body electronic pseudo-potential for the free atom (or ion is available. Results are also presented for off-center hydrogen, where a ground state energy minimum of -14.01 eV is found at a nuclear displacement of around 0.1 ÃƒÂ….
Degenerate Perturbation Theory for Electronic g Tensors: Leading-Order Relativistic Effects.
Rinkevicius, Zilvinas; de Almeida, Katia Julia; Oprea, Cornel I; Vahtras, Olav; Ågren, Hans; Ruud, Kenneth
2008-11-11
A new approach for the evaluation of the leading-order relativistic corrections to the electronic g tensors of molecules with a doublet ground state is presented. The methodology is based on degenerate perturbation theory and includes all relevant contributions to the g tensor shift up to order O(α(4)) originating from the one-electron part of the Breit-Pauli Hamiltonian-that is, it allows for the treatment of scalar relativistic, spin-orbit, and mixed corrections to the spin and orbital Zeeman effects. This approach has been implemented in the framework of spin-restricted density functional theory and is in the present paper, as a first illustration of the theory, applied to study relativistic effects on electronic g tensors of dihalogen anion radicals X2(-) (X = F, Cl, Br, I). The results indicate that the spin-orbit interaction is responsible for the large parallel component of the g tensor shift of Br2(-) and I2(-), and furthermore that both the leading-order scalar relativistic and spin-orbit corrections are of minor importance for the perpendicular component of the g tensor in these molecules since they effectively cancel each other. In addition to investigating the g tensors of dihalogen anion radicals, we also critically examine the importance of various relativistic corrections to the electronic g tensor of linear molecules with Σ-type ground states and present a two-state model suitable for an approximate estimation of the g tensor in such molecules.
Theory of atom displacements induced by fast electron elastic scattering in solids
International Nuclear Information System (INIS)
Cruz, C. M.; Pinera, I.; Abreu, Y.; Leyva, A.
2006-01-01
Present contribution deals with the theoretical description of the conditions favoring the occurrence of single fast electron elastic scattering in solids, leading to the displacement of atoms from their crystalline sites. Firstly, the Moliere-Bethe-Goudsmit-Saunderson theory of Multiple Electron Scattering is applied, determining the limiting angle θ l over which the single electron elastic scattering prevails over the multiple one, leading to the evaluation of the total macroscopic cross-section for single electron elastic scattering on the basis of the Mott-Rutherford differential cross-section. On the basis of single electron elastic scattering by atoms in the solid matrix, it was determined the relative number of Atom Displacements produced by the Gamma Radiation as a primary act, as well as the energy and linear momentum of the ejected atoms. The statistical distributions of single electron elastic scattering and of those inducing Atom Displacements at different electron initial energies in comparison with the others electron inelastic scattering channels are discussed, where the statistical sampling methods on the basis of the rejection one where applied simulating different practical situations. (Full text)
International Nuclear Information System (INIS)
Solontsov, A.
2015-01-01
The paper critically overviews the recent developments of the theory of spatially dispersive spin fluctuations (SF) in itinerant electron magnetism with particular emphasis on spin-fluctuation coupling or spin anharmonicity. It is argued that the conventional self-consistent renormalized (SCR) theory of spin fluctuations is usually used aside of the range of its applicability actually defined by the constraint of weak spin anharmonicity based on the random phase approximation (RPA) arguments. An essential step in understanding SF in itinerant magnets beyond RPA-like arguments was made recently within the soft-mode theory of SF accounting for strong spin anharmonicity caused by zero-point SF. In the present paper we generalize it to apply for a wider range of temperatures and regimes of SF and show it to lead to qualitatively new results caused by zero-point effects. - Highlights: • We review the spin-fluctuation theory of itinerant electron magnets with account of zero-point effects. • We generalize the existing theory to account for different regimes of spin fluctuations. • We show that zero-point spin fluctuations play a crucial role in both low- and high-temperature properties of metallic magnets. • We argue that a new scheme of calculation of ground state properties of magnets is needed including zero-point effects
International Nuclear Information System (INIS)
El Naschie, M.S.
2003-01-01
The paper is a rather informal introduction to the concepts and results of the E-infinity Cantorian theory of quantum physics. The fundamental tools of complexity theory and non-linear dynamics (Hausdorff dimensions, fat fractals, etc.) are used to give what we think to be a new interpretation of high energy physics and to determine the corresponding mass-spectrum. Particular attention is paid to the role played by the VAK, KAM theorem, Arnold diffusion, Newhaus sinks and knot theory in determining the stability of an elementary 'particle-wave' which emerges in self-organizatory manner out of sizzling vacuum fluctuation
Quadratic and coulomb terms for the spectrum of a three-electron quantum dot
International Nuclear Information System (INIS)
Hassanabadi, H.; Hamzavi, M.; Zarrinkamar, S.; Rajabi, A.A.
2010-01-01
We consider the Hamiltonian of a three-electron quantum dot composed of quadratic plus Coulomb terms and calculate the system's spectra. We next apply the hyperradius to reduce the three-body Schroedinger equation into a one-variable differential equation that is solvable. To avoid the complexity, the Taylor expansion of the effective potential is enters the problem and thereby a solution is found for the eigenvalues of the corresponding three-body Schroedinger equation in terms of the Wigner parameter. Using a quasi-analytical approach, we have calculated the energy eigenvalues of the Schroedinger equation corresponding to a three-electron quantum dot. In addition to the hyperspherical coordinates, much of mathematical complexity has been avoided using the idea of Taylor expansion for the potential. For the potential, we have considered quadratic plus Coulomb terms. The obtained energy eigenvalues in terms of the Wigner parameter are given in tabular form. (author)
Structure of the spin polarization spectrum of secondary electrons emitted from nickel
International Nuclear Information System (INIS)
Helman, J.S.
1985-01-01
The main features of the structure observed in the energy resolved spin polarization of secondary electrons emitted from Ni are interpreted in terms of surface and bulk plasmon assisted emission. The model also predicts a measureable shift of the main polarization peak of about 0.3 eV to lower energies as the temperature is raised from room temperature to closely below the Curie temperature. (Author) [pt
Electron paramagnetic resonance spectrum of fresh fruits processed by gamma-rays
International Nuclear Information System (INIS)
Jesus, E.F.O. de; Lopes, R.T.
1999-01-01
Pulp of irradiated kiwi fruits, after extraction by ethyl alcohol of part of the water and sugars, has been analyzed by electron paramagnetic resonance in order to study the possibility of identifying irradiated fruits. The results allow to confirm that for a period of approximately 12 weeks a triplet with a coupling isotropic constant of 3.05 mT, intensity ratio 1:2:1 and a factor g=2,0026 is visible in irradiated fruits
Quantum Theory of Conducting Matter Newtonian Equations of Motion for a Bloch Electron
Fujita, Shigeji
2007-01-01
Quantum Theory of Conducting Matter: Newtonian Equations of Motion for a Bloch Electron targets scientists, researchers and graduate-level students focused on experimentation in the fields of physics, chemistry, electrical engineering, and material sciences. It is important that the reader have an understanding of dynamics, quantum mechanics, thermodynamics, statistical mechanics, electromagnetism and solid-state physics. Many worked-out problems are included in the book to aid the reader's comprehension of the subject. The Bloch electron (wave packet) moves by following the Newtonian equation of motion. Under an applied magnetic field B the electron circulates around the field B counterclockwise or clockwise depending on the curvature of the Fermi surface. The signs of the Hall coefficient and the Seebeck coefficient are known to give the sign of the major carrier charge. For alkali metals, both are negative, indicating that the carriers are "electrons." These features arise from the Fermi surface difference...
International Nuclear Information System (INIS)
Jou, F.Y.; Freeman, G.R.
1979-01-01
The optical absorption spectra of solvated electrons in H 2 O and D 2 O have been measured at 274, 298, 340, and 380 K. All the spectra were fitted very well with the Gaussian and Lorentzian shape functions at the low- and high-energy sides of the absorption maximum, respectively, excluding the high-energy tail. The spectrum does not shift uniformly with temperature. The temperature coefficient of absorption decreases rapidly with increasing energy on the low-energy side of the absorption maximum, while it changes only slightly on the high-energy side. When the temperature increases the Lorentzian width remains constant, the Gaussian width varies proportionally to T/sup 1/2/, and the spectrum becomes more symmetrical. On going from H 2 O to D 2 O we found that the spectrum at a given A/A/sub max/ shows a shift of +0.05 eV in the low-energy wing. The shift decreases with increasing energy, reaching 0.03 eV at the absorption maximum. On the high-energy side of the band the shift becomes negative at hν > 2.2 eV. The shift on the low-energy side seems to be related to the difference of the zero-point energies of the inter- and intramolecular vibrations. The wavelength dependence of the temperature and isotope effects is consistent with the model that different types of excitation occur on the low- and high-energy sides of the absorption band. The temperature and isotopic dependence of the low-energy side are consistent with its width being due to phonon interactions
Restricted open-shell Kohn-Sham theory: N unpaired electrons
International Nuclear Information System (INIS)
Schulte, Marius; Frank, Irmgard
2010-01-01
Graphical abstract: High-spin or low-spin? The lowest-lying states for different multiplicities of iron complexes are described with a combination of restricted open-shell Kohn-Sham theory and Car-Parrinello molecular dynamics. - Abstract: We present an energy expression for restricted open-shell Kohn-Sham theory for N unpaired electrons. It is shown that it is possible to derive an explicit energy expression for all low-spin multiplets of systems that exhibit neither radial nor cylindrical symmetry. The approach was implemented in the CPMD code and tested for iron complexes.
An application of random field theory to analysis of electron trapping sites in disordered media
International Nuclear Information System (INIS)
Hilczer, M.; Bartczak, W.M.
1993-01-01
The potential energy surface in a disordered medium is considered a random field and described using the concepts of the mathematical theory of random fields. The preexisting traps for excess electrons are identified with certain regions of excursion (extreme regions) of the potential field. The theory provides an analytical method of statistical analysis of these regions. Parameters of the cavity-averaged potential field, which are provided by computer simulation of a given medium, serve as input data for the analysis. The statistics of preexisting traps are obtained for liquid methanol as a numerical example of the random field method. 26 refs., 6 figs
International Nuclear Information System (INIS)
Schneider, M.; Wormit, M.; Dreuw, A.; Soshnikov, D. Yu.; Trofimov, A. B.; Holland, D. M. P.; Powis, I.; Antonsson, E.; Patanen, M.; Nicolas, C.; Miron, C.
2015-01-01
The valence-shell ionization spectrum of bromobenzene, as a representative halogen substituted aromatic, was studied using the non-Dyson third-order algebraic-diagrammatic construction [nD-ADC(3)] approximation for the electron propagator. This method, also referred to as IP-ADC(3), was implemented as a part of the Q-Chem program and enables large-scale calculations of the ionization spectra, where the computational effort scales as n 5 with respect to the number of molecular orbitals n. The IP-ADC(3) scheme is ideally suited for investigating low-lying ionization transitions, so fresh insight could be gained into the cationic state manifold of bromobenzene. In particular, the present IP-ADC(3) calculations with the cc-pVTZ basis reveal a whole class of low-lying low-intensity two-hole-one-particle (2h-1p) doublet and quartet states, which are relevant to various photoionization processes. The good qualitative agreement between the theoretical spectral profile for the valence-shell ionization transitions generated with the smaller cc-pVDZ basis set and the experimental photoelectron spectrum measured at a photon energy of 80 eV on the PLÉIADES beamline at the Soleil synchrotron radiation source allowed all the main features to be assigned. Some theoretical aspects of the ionization energy calculations concerning the use of various approximation schemes and basis sets are discussed
Iordanov, I.; Gunaratne, K. D. D.; Harmon, C. L.; Sofo, J. O.; Castleman, A. W.
2012-06-01
We report a combined experimental and theoretical photoelectron spectroscopy study of ZnOH-. We find that the electron binding energy spectrum of ZnOH- reveals a broad and featureless peak between 1.4 and 2.4 eV in energy. The vertical detachment energy (VDE) of ZnOH- is determined to be 1.78 eV, which is lower than the 2.08 eV VDE of ZnO-. Our theoretical calculations match the VDE of ZnOH- accurately, but we find that the broadness of the peak cannot be explained by rotational or vibrational state excitation. The broadness of this peak is in strong contrast to the narrow and easily understood first peak of the ZnO spectrum, which features a well-resolved vibrational progression that can be readily explained by calculating the Franck-Condon transition factors. This study provides spectroscopic evidence of the effect of hydrogen on diatomic ZnO.
Term structure of 4d-electron configurations and calculated spectrum in Sn-isonuclear sequence
International Nuclear Information System (INIS)
Al-Rabban, Moza M.
2006-01-01
Theoretical calculations of term structure are carried out for the ground configurations 4d w , of atomic ions in the Sn isonuclear sequence. Atomic computations are performed to give a detailed account of the transitions in Sn +6 to Sn +13 ions. The spectrum is calculated for the most important excited configurations 4p 5 4d n+1 , 4d n-1 4f 1 , and 4d n-1 5p 1 with respect to the ground configuration 4d n , with n=8-1, respectively. The importance of 4p-4d, 4d-4f, and 4d-5p transitions is stressed, as well as the need for the configuration-interaction CI treatment of the Δn=0 transitions. In the region of importance for extreme ultraviolet (EUV) lithography around 13.4nm, the strongest lines were expected to be 4d n -4p 5 4d n+1 and 4d n -4d n-1 4f 1
Bedtime Electronic Media Use and Sleep in Children with Autism Spectrum Disorder.
Mazurek, Micah O; Engelhardt, Christopher R; Hilgard, Joseph; Sohl, Kristin
2016-09-01
The purpose of this study was to better understand the use of screen-based media at bedtime among children with autism spectrum disorder (ASD). The study specifically examined whether the presence of media devices in the child's bedroom, the use of media as part of the bedtime routine, and exposure to media with violent content just before bedtime were associated with sleep difficulties. Parents of 101 children with ASD completed questionnaires assessing their children's sleep habits, bedroom media access (including television, video game devices, and computers), and patterns of nighttime media use (including timing of media exposure and violent media content). Children with ASD who used media as part of the bedtime routine showed significantly greater sleep onset latency than those who did not (39.8 vs 16.0 minutes). Similarly, children who were exposed to media with violent content within the 30-minute period before bedtime experienced significantly greater sleep onset delays and shorter overall sleep duration. In contrast, the mere presence of bedroom media was not associated with either sleep onset latency or sleep duration. Overall, these findings indicate that incorporating television and video games into the bedtime routine is associated with sleep onset difficulties among children with ASD. Exposure to violent media before bed is also associated with poor sleep. Families of children with ASD should be encouraged to regulate and monitor the timing and content of television and video game use, whether or not such devices are physically present in the child's bedroom.
Kouklari, Evangelia-Chrysanthi; Tsermentseli, Stella; Auyeung, Bonnie
2018-05-01
The association between Executive Function (EF) and Theory of Mind (ToM) in autism spectrum disorder (ASD) has been mainly investigated using false belief tasks, whilst less is known about the EF effect on other ToM facets. Furthermore, the role EF plays in social communication in ASD is mainly assessed using parent-report EF ratings rather than direct assessment. The aim of this study was to shed more light on the effect of performance-based EF measures on ToM and social communication in middle childhood in ASD relative to neurotypical controls. Cross-sectional data were collected from 64 matched, school-aged children with and without ASD (8-12 years old), tested on measures of EF (inhibition, working memory, cognitive flexibility), ToM mental state/emotion recognition and social verbal communication. Significant group differences were observed only in selective EF skills (inhibition &cognitive flexibility) and social verbal communication. EF working memory contributed to the explained variance of ToM but not social verbal communication in middle childhood. These findings suggest that EF and ToM are still associated in middle childhood and EF may be a crucial predictor of ToM across childhood in ASD. Implications are discussed regarding the social-cognitive impairment relationship in ASD. Copyright © 2018 Elsevier Ltd. All rights reserved.
Fadda, Roberta; Parisi, Marinella; Ferretti, Luca; Saba, Gessica; Foscoliano, Maria; Salvago, Azzurra; Doneddu, Giuseppe
2016-01-01
This paper adds to the growing research on moral judgment (MJ) by considering whether theory of mind (ToM) might foster children's autonomous MJ achievement. A group of 30 children with autism spectrum disorder (ASD) was compared in MJ and ToM with 30 typically developing (TD) children. Participants were tested for MJ with a classical Piaget's task and for ToM with a second order False Belief task. In the moral task, children were told two versions of a story: in one version the protagonist acted according to a moral intention but the action resulted in a harmful consequence; in the other version the protagonist acted according to an immoral intention, but the action resulted in a harmless consequence. Children were asked which of the two protagonists was the "naughtier." In line with previous studies, the results indicated that, while the majority of TD participants succeeded in the second order False Belief task, only few individuals with ASD showed intact perspective taking abilities. The analysis of the MJ in relation to ToM showed that children with ASD lacking ToM abilities judged guilty the protagonists of the two versions of the story in the moral task because both of them violated a moral rule or because they considered the consequences of the actions, ignoring any psychological information. These results indicate a heteronomous morality in individuals with ASD, based on the respect of learned moral rules and outcomes rather than others' subjective states.
Kim, Eunjoo; Kyeong, Sunghyon; Cheon, Keun-Ah; Park, Bumhee; Oh, Maeng-Keun; Chun, Ji Won; Park, Hae-Jeong; Kim, Jae-Jin; Song, Dong-Ho
2016-05-16
Children and adolescents with Autism Spectrum Disorder (ASD) are characterized by an impaired Theory of Mind (ToM). Recent evidence suggested that two aspects of ToM (cognitive ToM versus affective ToM) are differentially impaired in individuals with ASD. In this study, we examined the neural correlates of cognitive and affective ToM in children and adolescents with ASD compared to typically developing children (TDCs). Twelve children and adolescents with ASD and 12 age, IQ matched TDCs participated in this functional MRI study. The ToM task involved the attribution of cognitive and affective mental states to a cartoon character based on verbal and eye-gaze cues. In cognitive ToM tasks, ASD participants recruited the medial prefrontal cortex (mPFC), anterior cingulate cortex (ACC), and superior temporal gyrus (STG) to a greater extent than did TDCs. In affective ToM tasks, both ASD and TDC participants showed more activation in the insula and other subcortical regions than in cognitive ToM tasks. Correlational analysis revealed that greater activation of the mPFC/ACC regions was associated with less symptom severity in ASD patients. In sum, our study suggests that the recruitment of additional prefrontal resources can compensate for the successful behavioral performance in the ToM task in ASD participants. Copyright © 2016 Elsevier Ireland Ltd. All rights reserved.
International Nuclear Information System (INIS)
Tait, E W; Payne, M C; Ratcliff, L E; Haynes, P D; Hine, N D M
2016-01-01
Experimental techniques for electron energy loss spectroscopy (EELS) combine high energy resolution with high spatial resolution. They are therefore powerful tools for investigating the local electronic structure of complex systems such as nanostructures, interfaces and even individual defects. Interpretation of experimental electron energy loss spectra is often challenging and can require theoretical modelling of candidate structures, which themselves may be large and complex, beyond the capabilities of traditional cubic-scaling density functional theory. In this work, we present functionality to compute electron energy loss spectra within the onetep linear-scaling density functional theory code. We first demonstrate that simulated spectra agree with those computed using conventional plane wave pseudopotential methods to a high degree of precision. The ability of onetep to tackle large problems is then exploited to investigate convergence of spectra with respect to supercell size. Finally, we apply the novel functionality to a study of the electron energy loss spectra of defects on the (1 0 1) surface of an anatase slab and determine concentrations of defects which might be experimentally detectable. (paper)
On the local theory of resonant inelastic collisions of slow electrons with carbon dioxide
International Nuclear Information System (INIS)
Kazansky, A.K.; Sergeeva, L.Yu.
1994-01-01
A method of calculating the cross sections of inelastic vibronic transitions in collisions of slow electrons with polyatomic molecules in the framework of the local theory (the 'boomerang' model) is proposed. The method is based on the study of the time evolution of the initial vibronic wavefunction; the evolution is governed by the (complex valued) Hamiltonian of the intermediate anion state. The method has been applied to the consideration of inelastic electron collisions with the CO 2 molecule in the two-mode approximation (symmetrical stretching and bending). The results obtained demonstrate the importance of the two-mode description for the system which can undergo the Renner transition. (Author)
Asymptotic theory of dissipative trapped electron mode overlapping many rational surfaces
International Nuclear Information System (INIS)
Rogister, A.; Hasselberg, G.
1978-01-01
The two dimensional eigenvalue equation describing the dissipative trapped electron mode is solved exactly in the limit of the mode overlapping many rational surfaces using the Pogutse model for the magnetic field and the pitch angle collision operator. The trapped electron contribution to the growth rate decreases, with respect to the standard theory, by a factor of order Δ/chi sub(T) << 1 where chi sub(T) is the position of the turning point and Δ the distance between rational surfaces
Spiegelberg, Jakob; Rusz, Ján
2015-12-01
In the framework of the slice transition operator technique, a general multislice theory for electron scattering in crystals is developed. To achieve this generalization, we combine the approaches for inelastic scattering derived by Yoshioka [J. Phys. Soc. Jpn. 12, 6 (1957)] and backscattering based on the formalism of Chen and Van Dyck [Ultramicroscopy 70, 29-44 (1997)]. A computational realization of the obtained equations is suggested. The proposed computational scheme is tested on elastic backscattering of electrons, where we consider single backscattering in analogy to the computational scheme proposed by Chen and Van Dyck. Copyright © 2015 Elsevier B.V. All rights reserved.
To the theory of spin-charge separation in one-dimensional correlated electron systems
International Nuclear Information System (INIS)
Zvyagin, A.A.
2004-01-01
Spin-charge separation is considered to be one of the key properties that distinguish low-dimensional electron systems from others. Three-dimensional correlated electron systems are described by the Fermi liquid theory. There, low-energy excitations (quasiparticles) are reminiscent of noninteracting electrons: They carry charges -e and spins 1/2 . It is believed that for any one-dimensional correlated electron system, low-lying electron excitations carry either only spin and no charge, or only charge without spin. That is why recent experiments looked for such low-lying collective electron excitations, one of which carries only spin, and the other carries only charge. Here we show that despite the fact that for exactly solvable one-dimensional correlated electron models there exist excitations which carry only spin and only charge, in all these models with short-range interactions the low-energy physics is described by low-lying collective excitations, one of which carries both spin and charge
Bohr's Electron was Problematic for Einstein: String Theory Solved the Problem
Webb, William
2013-04-01
Neils Bohr's 1913 model of the hydrogen electron was problematic for Albert Einstein. Bohr's electron rotates with positive kinetic energies +K but has addition negative potential energies - 2K. The total net energy is thus always negative with value - K. Einstein's special relativity requires energies to be positive. There's a Bohr negative energy conflict with Einstein's positive energy requirement. The two men debated the problem. Both would have preferred a different electron model having only positive energies. Bohr and Einstein couldn't find such a model. But Murray Gell-Mann did! In the 1960's, Gell-Mann introduced his loop-shaped string-like electron. Now, analysis with string theory shows that the hydrogen electron is a loop of string-like material with a length equal to the circumference of the circular orbit it occupies. It rotates like a lariat around its centered proton. This loop-shape has no negative potential energies: only positive +K relativistic kinetic energies. Waves induced on loop-shaped electrons propagate their energy at a speed matching the tangential speed of rotation. With matching wave speed and only positive kinetic energies, this loop-shaped electron model is uniquely suited to be governed by the Einstein relativistic equation for total mass-energy. Its calculated photon emissions are all in excellent agreement with experimental data and, of course, in agreement with those -K calculations by Neils Bohr 100 years ago. Problem solved!
Quantum theory of laser radiation scattering by electrons in magnetic fields
International Nuclear Information System (INIS)
Rochlin, H.; Davidovich, L.
1982-01-01
A system consisting of an electron in a static magnetic field, interacting with the quantized electromagnetic field, within the non-relativistic and electric dipole approximations (with a cutoff in momentum space) is considered. The Heisenberg equations of motion are solved exactly and the time evolution of the electric field is determined. The power spectrum of the scattered radiation is calculated, when the electromagnetic field is initially in a coherent state. The results for the line shape of the scattered radiation are shown to be valid for magnetic fields up to 10 12 G. The quantization of the electromagnetic field allows one to consider effects of the natural linewidth and its dependence on the magnetic field. The renormalization of the electron mass is included in these treatment, and the results remain finite when the cutoff goes to infinity. (Author) [pt
Weatherford, Charles A.
1993-01-01
One version of the multichannel theory for electron-target scattering based on the Schwinger variational principle, the SMC method, requires the introduction of a projection parameter. The role of the projection parameter a is investigated and it is shown that the principal-value operator in the SMC equation is Hermitian regardless of the value of a as long as it is real and nonzero. In a basis that is properly orthonormalizable, the matrix representation of this operator is also Hermitian. The use of such basis is consistent with the Schwinger variational principle because the Lippmann-Schwinger equation automatically builds in the correct boundary conditions. Otherwise, an auxiliary condition needs to be introduced, and Takatsuka and McKoy's original value of a is one of the three possible ways to achieve Hermiticity. In all cases but one, a can be uncoupled from the Hermiticity condition and becomes a free parameter. An equation for a based on the variational stability of the scattering amplitude is derived; its solution has an interesting property that the scattering amplitude from a converged SMC calculation is independent of the choice of a even though the SMC operator itself is a-dependent. This property provides a sensitive test of the convergence of the calculation. For a static-exchange calculation, the convergence requirement only depends on the completeness of the one-electron basis, but for a general multichannel case, the a-invariance in the scattering amplitude requires both the one-electron basis and the N plus 1-electron basis to be complete. The role of a in the SMC equation and the convergence property are illustrated using two examples: e-CO elastic scattering in the static-exchange approximation, and a two-state treatment of the e-H2 Chi(sup 1)Sigma(sub g)(+) yields b(sup 3)Sigma(sub u)(+) excitation.
Probing the electronic structure of liquid water with many-body perturbation theory
Pham, Tuan Anh; Zhang, Cui; Schwegler, Eric; Galli, Giulia
2014-03-01
We present a first-principles investigation of the electronic structure of liquid water based on many-body perturbation theory (MBPT), within the G0W0 approximation. The liquid quasiparticle band gap and the position of its valence band maximum and conduction band minimum with respect to vacuum were computed and it is shown that the use of MBPT is crucial to obtain results that are in good agreement with experiment. We found that the level of theory chosen to generate molecular dynamics trajectories may substantially affect the electronic structure of the liquid, in particular, the relative position of its band edges and redox potentials. Our results represent an essential step in establishing a predictive framework for computing the relative position of water redox potentials and the band edges of semiconductors and insulators. Work supported by DOE/BES (Grant No. DE-SC0008938). Work at LLNL was performed under Contract DE-AC52-07NA27344.
International Nuclear Information System (INIS)
Trinh, Vinh H; Morishita, Toru; Tolstikhin, Oleg I
2015-01-01
The recently developed many-electron weak-field asymptotic theory of tunneling ionization of atoms and molecules in an external static electric field (Tolstikhin et al 2014, Phys. Rev. A 89, 013421) is extended to the first-order terms in the asymptotic expansion in field. To highlight the results, here we present a simple analytical formula giving the rate of tunneling ionization of two-electron atoms H − and He. Comparison with fully-correlated ab initio calculations available for these systems shows that the first-order theory works quantitatively in a wide range of fields up to the onset of over-the-barrier ionization and hence is expected to find numerous applications in strong-field physics. (fast track communication)
Communication: A Jastrow factor coupled cluster theory for weak and strong electron correlation
International Nuclear Information System (INIS)
Neuscamman, Eric
2013-01-01
We present a Jastrow-factor-inspired variant of coupled cluster theory that accurately describes both weak and strong electron correlation. Compatibility with quantum Monte Carlo allows for variational energy evaluations and an antisymmetric geminal power reference, two features not present in traditional coupled cluster that facilitate a nearly exact description of the strong electron correlations in minimal-basis N 2 bond breaking. In double-ζ treatments of the HF and H 2 O bond dissociations, where both weak and strong correlations are important, this polynomial cost method proves more accurate than either traditional coupled cluster or complete active space perturbation theory. These preliminary successes suggest a deep connection between the ways in which cluster operators and Jastrow factors encode correlation
One-Body Potential Theory of Molecules and Solids Modified Semiempirically for Electron Correlation
International Nuclear Information System (INIS)
March, N.H.
2010-08-01
The study of Cordero, March and Alonso (CMA) for four spherical atoms, Be,Ne,Mg and Ar, semiempirically fine-tunes the Hartree-Fock (HF) ground-state electron density by inserting the experimentally determined ionization potentials. The present Letter, first of all, relates this approach to the very recent work of Bartlett 'towards an exact correlated orbital theory for electrons'. Both methods relax the requirement of standard DFT that a one-body potential shall generate the exact ground-state density, though both work with high quality approximations. Unlike DFT, the CMA theory uses a modified HF non-local potential. It is finally stressed that this potential generates also an idempotent Dirac density matrix. The CMA approach is thereby demonstrated to relate, albeit approximately, to the DFT exchange-correlation potential. (author)
International Nuclear Information System (INIS)
Bogar, Ferenc; Bartha, Ferenc; Bartha, Ferenc A.; March, Norman H.
2011-01-01
Independently, in the mid-1980s, several groups proposed to bosonize the density-functional theory (DFT) for fermions by writing a Schroedinger equation for the density amplitude ρ(r) 1/2 , with ρ(r) as the ground-state electron density, the central tool of DFT. The resulting differential equation has the DFT one-body potential V(r) modified by an additive term V P (r) where P denotes Pauli. To gain insight into the form of the Pauli potential V P (r), here, we invoke the known Coulombic density, ρ ∞ (r) say, calculated analytically by Heilmann and Lieb (HL), by summation over the entire hydrogenic bound-state spectrum. We show that V P∞ (r) has simple limits for both r tends to infinity and r approaching zero. In particular, at large r, V P∞ (r) precisely cancels the attractive Coulomb potential -Ze 2 /r, leaving V(r)+V P∞ (r) of O(r -2 ) as r tends to infinity. The HL density ρ ∞ (r) is finally used numerically to display V P∞ (r) for all r values.
Improved age-diffusion model for low-energy electron transport in solids. I. Theory
International Nuclear Information System (INIS)
Devooght, J.; Dubus, A.; Dehaes, J.C.
1987-01-01
We have developed in this paper a semianalytical electron transport model designed for parametric studies of secondary-electron emission induced by low-energy electrons (keV range) and by fast light ions (100 keV range). The primary-particle transport is assumed to be known and to give rise to an internal electron source. The importance of the nearly isotropic elastic scattering in the secondary-electron energy range (50 eV) and the slowing-down process strongly reduce the influence of the anisotropy of the internal electron source, and the internal electron flux is nearly isotropic as is evidenced by the experimental results. The differential energy behavior of the inelastic scattering kernel is very complicated and the real kernel is replaced by a synthetic scattering kernel of which parameters are obtained by energy and angle moments conservation. Through a P 1 approximation and the use of the synthetic scattering kernel, the Boltzmann equation is approximated by a diffusion--slowing-down equation for the isotropic part of the internal electron flux. The energy-dependent partial reflection boundary condition reduces to a Neumann-Dirichlet boundary condition. An analytical expression for the Green's function of the diffusion--slowing-down equation with the surface boundary condition is obtained by means of approximations close to the age-diffusion theory and the model allows for transient conditions. Independently from the ''improved age-diffusion'' model, a correction formula is developed in order to take into account the backscattering of primary electrons for an incident-electron problem
Integrating clinical theory and practice in an epilepsy-specific electronic patient record.
LENUS (Irish Health Repository)
Breen, Patricia
2009-01-01
This study\\'s objective was to assess the usability of the epilepsy history module of the electronic patient record, developed at Beaumont Hospital, and to identify opportunities for improvement. Observation, interview and document analysis methods were used. Results indicated that the module was useable but the design did not work as well in practice as anticipated by theory. The next iteration of the module included identified enhancements; this iteration is currently in use.
Weak coupling theory of the ripplon limited mobility of a 2-D electron lattice
International Nuclear Information System (INIS)
Dahm, A.J.; Mehrotra, R.
1981-01-01
The one ripplon-n phonon scattering contribution to the mobility of a 2D electron lattice supported by a liquid helium substrate is calculated in first order perturbation theory to all orders of n in the weak coupling limit. The Debye Waller factor is shown to limit the momentum transfer at large ripplon wave-vectors and high temperatures causing a minimum in the mobility as a function of temperature. (orig.)
A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics
Kretchmer, Joshua S.; Chan, Garnet Kin-Lic
2018-02-01
We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems. As in the previously developed static DMET, real-time DMET partitions the system into an impurity corresponding to the region of interest coupled to the surrounding environment, which is efficiently represented by a quantum bath of the same size as the impurity. In this work, we focus on a simplified single-impurity time-dependent formulation as a first step toward a multi-impurity theory. The equations of motion of the coupled impurity and bath embedding problem are derived using the time-dependent variational principle. The accuracy of real-time DMET is compared to that of time-dependent complete active space self-consistent field (TD-CASSCF) theory and time-dependent Hartree-Fock (TDHF) theory for a variety of quantum quenches in the single impurity Anderson model (SIAM), in which the Hamiltonian is suddenly changed (quenched) to induce a non-equilibrium state. Real-time DMET shows a marked improvement over the mean-field TDHF, converging to the exact answer even in the non-trivial Kondo regime of the SIAM. However, as expected from analogous behavior in static DMET, the constrained structure of the real-time DMET wavefunction leads to a slower convergence with respect to active space size, in the single-impurity formulation, relative to TD-CASSCF. Our initial results suggest that real-time DMET provides a promising framework to simulate non-equilibrium electron dynamics in which strong electron correlation plays an important role, and lays the groundwork for future multi-impurity formulations.
Laser driven electron-positron pair creation-kinetic theory versus analytical approximations
International Nuclear Information System (INIS)
Smolyansky, S.A.; Prozorkevich, A.V.; Bonitz, M.
2013-01-01
The dynamical Schwinger effect of vacuum pair creation driven by an intense external laser pulse is studied on the basis of quantum kinetic theory. The numerical solutions of these kinetic equations exhibit a complex time dependence which makes an analysis of the physical processes difficult. In particular, the question of secondary effects, such as creation of secondary annihilation photons from the focus spot of the colliding laser beams, remains an important open problem. In the present work we, therefore, develop a perturbation theory which is able to capture the dominant time dependence of the produced electron-positron pair density. The theory shows excellent agreement with the exact kinetic results during the laser pulse, but fails to reproduce the residual pair density remaining in the system after termination of the pulse. (copyright 2013 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim) (orig.)
A self-consistent nonlinear theory of resistive-wall instability in a relativistic electron beam
International Nuclear Information System (INIS)
Uhm, H.S.
1994-01-01
A self-consistent nonlinear theory of resistive-wall instability is developed for a relativistic electron beam propagating through a grounded cylindrical resistive tube. The theory is based on the assumption that the frequency of the resistive-wall instability is lower than the cutoff frequency of the waveguide. The theory is concentrated on study of the beam current modulation directly related to the resistive-wall klystron, in which a relativistic electron beam is modulated at the first cavity and propagates downstream through the resistive wall. Because of the self-excitation of the space charge waves by the resistive-wall instability, a highly nonlinear current modulation of the electron beam is accomplished as the beam propagates downstream. A partial integrodifferential equation is obtained in terms of the initial energy modulation (ε), the self-field effects (h), and the resistive-wall effects (κ). Analytically investigating the partial integrodifferential equation, a scaling law of the propagation distance z m at which the maximum current modulation occurs is obtained. It is found in general that the self-field effects dominate over the resistive-wall effects at the beginning of the propagation. As the beam propagates farther downstream, the resistive-wall effects dominate. Because of a relatively large growth rate of the instability, the required tube length of the klystron is short for most applications
International Nuclear Information System (INIS)
Sundararaman, Ravishankar; Goddard, William A. III; Arias, Tomas A.
2017-01-01
First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Lastly, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.
Sundararaman, Ravishankar; Goddard, William A.; Arias, Tomas A.
2017-03-01
First-principles calculations combining density-functional theory and continuum solvation models enable realistic theoretical modeling and design of electrochemical systems. When a reaction proceeds in such systems, the number of electrons in the portion of the system treated quantum mechanically changes continuously, with a balancing charge appearing in the continuum electrolyte. A grand-canonical ensemble of electrons at a chemical potential set by the electrode potential is therefore the ideal description of such systems that directly mimics the experimental condition. We present two distinct algorithms: a self-consistent field method and a direct variational free energy minimization method using auxiliary Hamiltonians (GC-AuxH), to solve the Kohn-Sham equations of electronic density-functional theory directly in the grand canonical ensemble at fixed potential. Both methods substantially improve performance compared to a sequence of conventional fixed-number calculations targeting the desired potential, with the GC-AuxH method additionally exhibiting reliable and smooth exponential convergence of the grand free energy. Finally, we apply grand-canonical density-functional theory to the under-potential deposition of copper on platinum from chloride-containing electrolytes and show that chloride desorption, not partial copper monolayer formation, is responsible for the second voltammetric peak.
Energy Technology Data Exchange (ETDEWEB)
Jin, Jae Sik [Chosun College of Science and Technology, Gwangju (Korea, Republic of)
2017-03-15
Phonon dynamics in nanostructure is critically important to thermoelectric and optoelectronic devices because it determines the transport and other crucial properties. However, accurately evaluating the phonon lifetimes is extremely difficult. This study reports on the development of a new semi-empirical method to estimate the full-spectrum phonon lifetimes in thin silicon films at room temperature based on the experimental data on the phonon mean-free-path spectrum in bulk silicon and a phenomenological consideration of phonon transport in thin films. The bulk of this work describes the theory and the validation; then, we discuss the trend of the phonon lifetimes in thin silicon films when their thicknesses decrease.
Continuum orbital approximations in weak-coupling theories for inelastic electron scattering
International Nuclear Information System (INIS)
Peek, J.M.; Mann, J.B.
1977-01-01
Two approximations, motivated by heavy-particle scattering theory, are tested for weak-coupling electron-atom (ion) inelastic scattering theory. They consist of replacing the one-electron scattering orbitals by their Langer uniform approximations and the use of an average trajectory approximation which entirely avoids the necessity for generating continuum orbitals. Numerical tests for a dipole-allowed and a dipole-forbidden event, based on Coulomb-Born theory with exchange neglected, reveal the error trends. It is concluded that the uniform approximation gives a satisfactory prediction for traditional weak-coupling theories while the average approximation should be limited to collision energies exceeding at least twice the threshold energy. The accuracy for both approximations is higher for positive ions than for neutral targets. Partial-wave collision-strength data indicate that greater care should be exercised in using these approximations to predict quantities differential in the scattering angle. An application to the 2s 2 S-2p 2 P transition in Ne VIII is presented
X-ray spectrum determination of elements with low atomic number with use of electron microscope
International Nuclear Information System (INIS)
Smirnov, V.N.
1982-01-01
Separate assemblies of a commercial analytical electron microscope-microanalyzer EMMA-2 have been modified to study objects, containing elements with the atomic number Z=5-9, in particular: 1) the range of changing the accelerating voltages is expanded to be in the range of 25 down to 10 kV with 5 kV interval. 2) image intensifier using microchannel plate MKP-40-19 is applied; 3) for elements of carbon, oxygen, boron, nitrogen type a unit with flow-type proportional counter is used. The sensitivity of carbon- and oxygen determination in carbides and oxides is 0.15-0.3% at the measurement time of 100 s. Results of microanalysis of the particles of B 2 O 3 , Al 2 O 3 , SiO 2 , Fe 2 O 3 , Fe 3 C, WC for the contents of oxygen and carbon are presented
Boschini, M. J.; Della Torre, S.; Gervasi, M.; Grandi, D.; Jóhannesson, G.; La Vacca, G.; Masi, N.; Moskalenko, I. V.; Pensotti, S.; Porter, T. A.; Quadrani, L.; Rancoita, P. G.; Rozza, D.; Tacconi, M.
2018-02-01
The local interstellar spectrum (LIS) of cosmic-ray (CR) electrons for the energy range 1 MeV to 1 TeV is derived using the most recent experimental results combined with the state-of-the-art models for CR propagation in the Galaxy and in the heliosphere. Two propagation packages, GALPROP and HELMOD, are combined to provide a single framework that is run to reproduce direct measurements of CR species at different modulation levels, and at both polarities of the solar magnetic field. An iterative maximum-likelihood method is developed that uses GALPROP-predicted LIS as input to HELMOD, which provides the modulated spectra for specific time periods of the selected experiments for model-data comparison. The optimized HelMod parameters are then used to adjust GALPROP parameters to predict a refined LIS with the procedure repeated subject to a convergence criterion. The parameter optimization uses an extensive data set of proton spectra from 1997 to 2015. The proposed CR electron LIS accommodates both the low-energy interstellar spectra measured by Voyager 1 as well as the high-energy observations by PAMELA and AMS-02 that are made deep in the heliosphere; it also accounts for Ulysses counting rate features measured out of the ecliptic plane. The interstellar and heliospheric propagation parameters derived in this study agree well with our earlier results for CR protons, helium nuclei, and anti-protons propagation and LIS obtained in the same framework.
Two-electron Rabi oscillations in real-time time-dependent density-functional theory
International Nuclear Information System (INIS)
Habenicht, Bradley F.; Tani, Noriyuki P.; Provorse, Makenzie R.; Isborn, Christine M.
2014-01-01
We investigate the Rabi oscillations of electrons excited by an applied electric field in several simple molecular systems using time-dependent configuration interaction (TDCI) and real-time time-dependent density-functional theory (RT-TDDFT) dynamics. While the TDCI simulations exhibit the expected single-electron Rabi oscillations at a single resonant electric field frequency, Rabi oscillations in the RT-TDDFT simulations are a two-electron process. The existence of two-electron Rabi oscillations is determined both by full population inversion between field-free molecular orbitals and the behavior of the instantaneous dipole moment during the simulations. Furthermore, the Rabi oscillations in RT-TDDFT are subject to an intensity threshold of the electric field, below which Rabi oscillations do not occur and above which the two-electron Rabi oscillations occur at a broad range of frequencies. It is also shown that at field intensities near the threshold intensity, the field frequency predicted to induce Rabi oscillations by linear response TDDFT only produces detuned Rabi oscillations. Instead, the field frequency that yields the full two-electron population inversion and Rabi oscillation behavior is shown to be the average of single-electron transition frequencies from the ground S 0 state and the doubly-excited S 2 state. The behavior of the two-electron Rabi oscillations is rationalized via two possible models. The first model is a multi-photon process that results from the electric field interacting with the three level system such that three level Rabi oscillations may occur. The second model suggests that the mean-field nature of RT-TDDFT induces paired electron propagation
Energy Technology Data Exchange (ETDEWEB)
Dale, Stephen G., E-mail: sdale@ucmerced.edu [Chemistry and Chemical Biology, School of Natural Sciences, University of California, Merced, 5200 North Lake Road, Merced, California 95343 (United States); Johnson, Erin R., E-mail: erin.johnson@dal.ca [Department of Chemistry, Dalhousie University, 6274 Coburg Road, Halifax, Nova Scotia B3H 4R2 (Canada)
2015-11-14
Exploration of the solvated electron phenomena using density-functional theory (DFT) generally results in prediction of a localised electron within an induced solvent cavity. However, it is well known that DFT favours highly delocalised charges, rendering the localisation of a solvated electron unexpected. We explore the origins of this counterintuitive behaviour using a model Kevan-structure system. When a polarisable-continuum solvent model is included, it forces electron localisation by introducing a strong energetic bias that favours integer charges. This results in the formation of a large energetic barrier for charge-hopping and can cause the self-consistent field to become trapped in local minima thus converging to stable solutions that are higher in energy than the ground electronic state. Finally, since the bias towards integer charges is caused by the polarisable continuum, these findings will also apply to other classical polarisation corrections, as in combined quantum mechanics and molecular mechanics (QM/MM) methods. The implications for systems beyond the solvated electron, including cationic DNA bases, are discussed.
Relations of secondary electron emission to microdosimetry and applications to two-target theory
International Nuclear Information System (INIS)
Forsberg, B.J.; Burlin, T.E.
1978-01-01
Secondary electron emission has been suggested as a phenomenon that offers considerable potential for microdosimetric studies (Burlin, 1973). This potential is examined further through a theoretical study. Previous work on the stochastic nature of secondary electron emission is reviewed and in particular a Monte Carlo programme of McDonald, Lamki and Delaney (1971, 1973) is developed. Lineal energy distributions are presented for tissue equivalent volumes of about 5nm in three materials for different electron energies. The dose mean of lineal energy and the frequency mean of lineal energy are calculated and these results for volumes with linear dimension of a few nanometers are compared with results of Bengtsson and Lindborg (1974), Braby and Ellett (1971) and Dvorak (1975). Several authors have suggested that some radiobiological effects may result from energy deposition in two different targets. An experimental investigation using proportional counter measurements to simulate two-target theory has been reported. In this paper an alternative technique to twin-proportional counter measurements, based on the secondary electron emission from the two sides of a thin foil is discussed. The extended version of the programme calculates the coincident P(nsub(i),nsub(e)) distribution, that is the number of secondary electrons pair (nsub(i), nsub(e)) is recorded, where nsub(i) is the number of secondary electrons leaving the incident side and nsub(e) is leaving the exit side of the foil simultaneously
Method of γ expansions in the electronic theory of disordered alloys
International Nuclear Information System (INIS)
Masanskii, I.V.; Tokar', V.I.
1989-01-01
In the electronic theory of disordered alloys an expansion with respect to the parameter γ = exp( -1/ξ ), where ξ is the dimensionless correlation length of the single-electron Green's function, is proposed. This expansion makes it possible to take into account the presence in the alloy of short-range order and the effects of multiple scattering of the electrons by different sites. It is shown that in the case of sufficiently strong disorder γ is a small parameter of the coherent potential approximation, and the corrections to this approximation are found. It is also shown that in the framework of this approximation the equilibrium values of the parameters of the short-range order can be calculated
Hierarchy spectrum of SM fermions: from top quark to electron neutrino
International Nuclear Information System (INIS)
Xue, She-Sheng
2016-01-01
In the SM gauge symmetries and fermion content of neutrinos, charged leptons and quarks, we study the effective four-fermion operators of Einstein-Cartan type and their contributions to the Schwinger-Dyson equations of fermion self-energy functions. The study is motivated by the speculation that these four-fermion operators are probably originated due to the quantum gravity, which provides the natural regularization for chiral-symmetric gauge field theories. In the chiral-gauge symmetry breaking phase, as to achieve the energetically favorable ground state, only the top-quark mass is generated via the spontaneous symmetry breaking, and other fermion masses are generated via the explicit symmetry breaking induced by the top-quark mass, four-fermion interactions and fermion-flavor mixing matrices. A phase transition from the symmetry breaking phase to the chiral-gauge symmetric phase at TeV scale occurs and the drastically fine-tuning problem can be resolved. In the infrared fixed-point domain of the four-fermion coupling for the SM at low energies, we qualitatively obtain the hierarchy patterns of the SM fermion Dirac masses, Yukawa couplings and family-flavor mixing matrices with three additional right-handed neutrinos ν_R"f. Large Majorana masses and lepton-number symmetry breaking are originated by the four-fermion interactions among ν_R"f and their left-handed conjugated fields ν_R"f"c. Light masses of gauged Majorana neutrinos in the normal hierarchy (10"−"5−10"−"2 eV) are obtained consistently with neutrino oscillations. We present some discussions on the composite Higgs phenomenology and forward-backward asymmetry of tt̄-production, as well as remarks on the candidates of light and heavy dark matter particles (fermions, scalar and pseudoscalar bosons).
Hierarchy spectrum of SM fermions: from top quark to electron neutrino
Energy Technology Data Exchange (ETDEWEB)
Xue, She-Sheng [ICRANet,Piazza della Repubblica 10, 65122 Pescara (Italy); Physics Department, Sapienza University of Rome,Piazzale Aldo Moro 5, 00185 Roma (Italy)
2016-11-10
In the SM gauge symmetries and fermion content of neutrinos, charged leptons and quarks, we study the effective four-fermion operators of Einstein-Cartan type and their contributions to the Schwinger-Dyson equations of fermion self-energy functions. The study is motivated by the speculation that these four-fermion operators are probably originated due to the quantum gravity, which provides the natural regularization for chiral-symmetric gauge field theories. In the chiral-gauge symmetry breaking phase, as to achieve the energetically favorable ground state, only the top-quark mass is generated via the spontaneous symmetry breaking, and other fermion masses are generated via the explicit symmetry breaking induced by the top-quark mass, four-fermion interactions and fermion-flavor mixing matrices. A phase transition from the symmetry breaking phase to the chiral-gauge symmetric phase at TeV scale occurs and the drastically fine-tuning problem can be resolved. In the infrared fixed-point domain of the four-fermion coupling for the SM at low energies, we qualitatively obtain the hierarchy patterns of the SM fermion Dirac masses, Yukawa couplings and family-flavor mixing matrices with three additional right-handed neutrinos ν{sub R}{sup f}. Large Majorana masses and lepton-number symmetry breaking are originated by the four-fermion interactions among ν{sub R}{sup f} and their left-handed conjugated fields ν{sub R}{sup fc}. Light masses of gauged Majorana neutrinos in the normal hierarchy (10{sup −5}−10{sup −2} eV) are obtained consistently with neutrino oscillations. We present some discussions on the composite Higgs phenomenology and forward-backward asymmetry of tt̄-production, as well as remarks on the candidates of light and heavy dark matter particles (fermions, scalar and pseudoscalar bosons).
Energy Technology Data Exchange (ETDEWEB)
Goings, Joshua J.; Li, Xiaosong, E-mail: xsli@uw.edu [Department of Chemistry, University of Washington, Seattle, Washington 98195 (United States)
2016-06-21
One of the challenges of interpreting electronic circular dichroism (ECD) band spectra is that different states may have different rotatory strength signs, determined by their absolute configuration. If the states are closely spaced and opposite in sign, observed transitions may be washed out by nearby states, unlike absorption spectra where transitions are always positive additive. To accurately compute ECD bands, it is necessary to compute a large number of excited states, which may be prohibitively costly if one uses the linear-response time-dependent density functional theory (TDDFT) framework. Here we implement a real-time, atomic-orbital based TDDFT method for computing the entire ECD spectrum simultaneously. The method is advantageous for large systems with a high density of states. In contrast to previous implementations based on real-space grids, the method is variational, independent of nuclear orientation, and does not rely on pseudopotential approximations, making it suitable for computation of chiroptical properties well into the X-ray regime.
Evolution of the spectrum of the solvated electron in BeF2 aqueous glasses at 76 K
International Nuclear Information System (INIS)
Nguyen, T.Q.; Walker, D.C.; Gillis, H.A.
1978-01-01
Evidence is presented for a spontaneous shift from infrared-to- red-to-green in the overall spectrum of the electron trapped in an aqueous glass at 76 K following nanosecond pulse radiolysis. As with the alcohols, after the pulse the infrared absorption decays, there is a growth-then-decay of absorbance at intermediate wavelengths and net growth of absorption due to the equilibrated trapped electron state, e - /sub vis/. This progressive transition was not characterised by a single-step process and was discernible in aqueous glasses containing 7.5 or 10.7M BeF 2 in D 2 O. At higher BeF 2 concentrations, or with LiBr as glass-forming electrolyte, no growth of e - /sub vis/ was observed, probably because of concurrent loss of e - /sub vis/ in those glasses, as in LiCl and other glasses. BeF 2 glasses of trapped electrons showed several other features of interest: (i) wavelength- selective bleaching of the e - /sub vis/ band indicates that it is composed of a broad ''green'' band (lambda/sub max/, 530--590 nm) which bleaches homogeneously, and a broad ''red'' region which bleaches inhomogeneously. (ii) lambda/sub max/ for e - /sub vis/ changes with BeF 2 concentration, being blue shifted with increasing concentration , with both green and red underlying structures shifting slightly. (iii) No absorption due to F - 2 was found following pulse radiolysis in these glasses at 76 K. (iv) Several recent findings with LiCl are mimicked by F - 2 glasses. For instance, G (e - /sub vis/) increases and G (e - /sub ir/) decreases as the electrolyte concentration is increased, while the combined yield remains constant at 1.8 +- 0.1
Mazefsky, Carla A; Yu, Lan; White, Susan W; Siegel, Matthew; Pilkonis, Paul A
2018-04-06
Individuals with autism spectrum disorder (ASD) often present with prominent emotion dysregulation that requires treatment but can be difficult to measure. The Emotion Dysregulation Inventory (EDI) was created using methods developed by the Patient-Reported Outcomes Measurement Information System (PROMIS ® ) to capture observable indicators of poor emotion regulation. Caregivers of 1,755 youth with ASD completed 66 candidate EDI items, and the final 30 items were selected based on classical test theory and item response theory (IRT) analyses. The analyses identified two factors: (a) Reactivity, characterized by intense, rapidly escalating, sustained, and poorly regulated negative emotional reactions, and (b) Dysphoria, characterized by anhedonia, sadness, and nervousness. The final items did not show differential item functioning (DIF) based on gender, age, intellectual ability, or verbal ability. Because the final items were calibrated using IRT, even a small number of items offers high precision, minimizing respondent burden. IRT co-calibration of the EDI with related measures demonstrated its superiority in assessing the severity of emotion dysregulation with as few as seven items. Validity of the EDI was supported by expert review, its association with related constructs (e.g., anxiety and depression symptoms, aggression), higher scores in psychiatric inpatients with ASD compared to a community ASD sample, and demonstration of test-retest stability and sensitivity to change. In sum, the EDI provides an efficient and sensitive method to measure emotion dysregulation for clinical assessment, monitoring, and research in youth with ASD of any level of cognitive or verbal ability. Autism Res 2018. © 2018 International Society for Autism Research, Wiley Periodicals, Inc. This paper describes a new measure of poor emotional control called the Emotion Dysregulation Inventory (EDI). Caregivers of 1,755 youth with ASD completed candidate items, and advanced statistical
Begeer, Sander; Howlin, Patricia; Hoddenbach, Elske; Clauser, Cassandra; Lindauer, Ramon; Clifford, Pamela; Gevers, Carolien; Boer, Frits; Koot, Hans M
2015-12-01
Limited perspective taking or "Theory of Mind" (ToM) abilities are a core deficit of autism, and many interventions are aimed to improve ToM abilities. In this study, we investigated the effectiveness of a ToM treatment for children with autism spectrum disorders (ASD) and, for the first time, the moderating roles of social interaction style (SIS) and disruptive behavior (DB), to determine which children are most likely to respond to this intervention. The trial protocol is registered at www.trialregister.nl, trial number 2327 and published before the data collection was finished (www.trialsjournal.com). Children with autism aged 7-12 years (n = 97) were randomized over a waitlist control or a treatment condition. Outcome measures included ToM and emotion understanding, parent and teacher questionnaires on children's social skills, ToM-related social behavior, and autistic traits. Six-month follow-up parent reported data were collected for the treatment group. The treatment had a positive effect on ToM understanding, parent-reported ToM behavior, and autistic traits, but not on parent or teacher-reported social behavior. Passive SIS was associated with diminished treatment effects on autistic traits, but DB was unrelated to outcomes. The ToM intervention improved conceptual social understanding and ToM-related behavior of children with ASD. However, broader application of learned skills to other domains of functioning was limited. Individual differences with regard to treatment response are discussed. © 2015 International Society for Autism Research, Wiley Periodicals, Inc.
Directory of Open Access Journals (Sweden)
Roberta eFadda
2016-04-01
Full Text Available This paper adds to the growing research on moral judgment by considering whether Theory of Mind (ToM might foster children's autonomous moral judgment achievement. A group of 30 children with Autism Spectrum Disorder (ASD was compared in moral judgment (MJ and ToM with 30 typically developing (TD children. Participants were tested for moral judgment with a classical Piaget’s task and for ToM with a second order False Belief task. In the moral task, children were told two versions of a story: in one version the protagonist acted according to a moral intention but the action resulted in a harmful consequence; in the other version the protagonist acted according to an immoral intention, but the action resulted in a harmless consequence. Children were asked which of the two protagonists was the naughtier. In line with previous studies, the results indicated that, while the majority of TD participants succeeded in the second order False Belief task, only few individuals with ASD showed intact perspective taking abilities. The analysis of the MJ in relation to ToM showed that children with ASD lacking ToM abilities judged guilty the protagonists of the two versions of the story in the moral task because both of them violated a moral rule or because they considered the consequences of the actions, ignoring any psychological information. These results indicate a heteronomous morality in individuals with ASD, based on the respect of learned moral rules and outcomes rather than others’ subjective states.
Nazarov, Vladimir U.; Silkin, Vyacheslav M.; Krasovskii, Eugene E.
2017-12-01
Inelastic scattering of the medium-energy (˜10 -100 eV) electrons underlies the method of the high-resolution electron energy-loss spectroscopy (HREELS), which has been successfully used for decades to characterize pure and adsorbate-covered surfaces of solids. With the emergence of graphene and other quasi-two-dimensional (Q2D) crystals, HREELS could be expected to become the major experimental tool to study this class of materials. We, however, identify a critical flaw in the theoretical picture of the HREELS of Q2D crystals in the context of the inelastic scattering only ("energy-loss functions" formalism), in contrast to its justifiable use for bulk solids and surfaces. The shortcoming is the neglect of the elastic scattering, which we show is inseparable from the inelastic one, and which, affecting the spectra dramatically, must be taken into account for the meaningful interpretation of the experiment. With this motivation, using the time-dependent density functional theory for excitations, we build a theory of the simultaneous inelastic and elastic electron scattering at Q2D crystals. We apply this theory to HREELS of graphene, revealing an effect of the strongly coupled excitation of the π +σ plasmon and elastic diffraction resonances. Our results open a path to the theoretically interpretable study of the excitation processes in crystalline mesoscopic materials by means of HREELS, with its supreme resolution on the meV energy scale, which is far beyond the capacity of the now overwhelmingly used EELS in transmission electron microscopy.
Theory and simulation of an inverse free-electron laser experiment
Gou, S. K.; Bhattacharjee, A.; Fang, J.-M.; Marshall, T. C.
1997-03-01
An experimental demonstration of the acceleration of electrons using a high-power CO2 laser interacting with a relativistic electron beam moving along a wiggler has been carried out at the Accelerator Test Facility of the Brookhaven National Laboratory [Phys. Rev. Lett. 77, 2690 (1996)]. The data generated by this inverse free-electron-laser (IFEL) experiment are studied by means of theory and simulation. Included in the simulations are such effects as: a low-loss metallic waveguide with a dielectric coating on the walls; multi-mode coupling due to self-consistent interaction between the electrons and the optical wave; space charge; energy spread of the electrons; and arbitrary wiggler-field profile. Two types of wiggler profile are considered: a linear taper of the period, and a step-taper of the period. (The period of the wiggler is ˜3 cm, its magnetic field is ˜1 T, and the wiggler length is 0.47 m.) The energy increment of the electrons (˜1-2%) is analyzed in detail as a function of laser power, wiggler parameters, and the initial beam energy (˜40 MeV). At a laser power level ˜0.5 Gw, the simulation results on energy gain are in reasonable agreement with the experimental results. Preliminary results on the electron energy distribution at the end of the IFEL are presented. Whereas the experiment produces a near-monotone distribution of electron energies with the peak shifted to higher energy, the simulation shows a more structured and non-monotonic distribution at the end of the wiggler. Effects that may help reconcile these differences are considered.
Theory of bright-field scanning transmission electron microscopy for tomography
International Nuclear Information System (INIS)
Levine, Zachary H.
2005-01-01
Radiation transport theory is applied to electron microscopy of samples composed of one or more materials. The theory, originally due to Goudsmit and Saunderson, assumes only elastic scattering and an amorphous medium dominated by atomic interactions. For samples composed of a single material, the theory yields reasonable parameter-free agreement with experimental data taken from the literature for the multiple scattering of 300-keV electrons through aluminum foils up to 25 μm thick. For thin films, the theory gives a validity condition for Beer's law. For thick films, a variant of Moliere's theory [V. G. Moliere, Z. Naturforschg. 3a, 78 (1948)] of multiple scattering leads to a form for the bright-field signal for foils in the multiple-scattering regime. The signal varies as [t ln(e 1-2γ t/τ)] -1 where t is the path length of the beam, τ is the mean free path for elastic scattering, and γ is Euler's constant. The Goudsmit-Saunderson solution interpolates numerically between these two limits. For samples with multiple materials, elemental sensitivity is developed through the angular dependence of the scattering. From the elastic scattering cross sections of the first 92 elements, a singular-value decomposition of a vector space spanned by the elastic scattering cross sections minus a delta function shows that there is a dominant common mode, with composition-dependent corrections of about 2%. A mathematically correct reconstruction procedure beyond 2% accuracy requires the acquisition of the bright-field signal as a function of the scattering angle. Tomographic reconstructions are carried out for three singular vectors of a sample problem with four elements Cr, Cu, Zr, and Te. The three reconstructions are presented jointly as a color image; all four elements are clearly identifiable throughout the image
Huhn, William Paul; Lange, Björn; Yu, Victor; Blum, Volker; Lee, Seyong; Yoon, Mina
Density-functional theory has been well established as the dominant quantum-mechanical computational method in the materials community. Large accurate simulations become very challenging on small to mid-scale computers and require high-performance compute platforms to succeed. GPU acceleration is one promising approach. In this talk, we present a first implementation of all-electron density-functional theory in the FHI-aims code for massively parallel GPU-based platforms. Special attention is paid to the update of the density and to the integration of the Hamiltonian and overlap matrices, realized in a domain decomposition scheme on non-uniform grids. The initial implementation scales well across nodes on ORNL's Titan Cray XK7 supercomputer (8 to 64 nodes, 16 MPI ranks/node) and shows an overall speed up in runtime due to utilization of the K20X Tesla GPUs on each Titan node of 1.4x, with the charge density update showing a speed up of 2x. Further acceleration opportunities will be discussed. Work supported by the LDRD Program of ORNL managed by UT-Battle, LLC, for the U.S. DOE and by the Oak Ridge Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC05-00OR22725.
Hoddenbach, Elske; Koot, Hans M; Clifford, Pamela; Gevers, Carolien; Clauser, Cassandra; Boer, Frits; Begeer, Sander
2012-11-09
Having a 'theory of mind', or having the ability to attribute mental states to oneself or others, is considered one of the most central domains of impairment among children with an autism spectrum disorder (ASD). Many interventions focus on improving theory of mind skills in children with ASD. Nonetheless, the empirical evidence for the effect of these interventions is limited. The main goal of this study is to examine the effectiveness of a short theory of mind intervention for children with ASD. A second objective is to determine which subgroups within the autism spectrum profit most from the intervention. This study is a randomized controlled trial. One hundred children with ASD, aged 7 to 12 years will be randomly assigned to an intervention or a waiting list control group. Outcome measures include the completion of theory of mind and emotion understanding tasks, and parent and teacher questionnaires on children's social skills. Follow-up data for the intervention group will be collected 6 months after the interventions. This study evaluates the efficacy of a theory of mind intervention for children with ASD. Hypotheses, strengths, and limitations of the study are discussed. Netherlands Trial Register NTR2327.
Directory of Open Access Journals (Sweden)
Hoddenbach Elske
2012-11-01
Full Text Available Abstract Background Having a ‘theory of mind’, or having the ability to attribute mental states to oneself or others, is considered one of the most central domains of impairment among children with an autism spectrum disorder (ASD. Many interventions focus on improving theory of mind skills in children with ASD. Nonetheless, the empirical evidence for the effect of these interventions is limited. The main goal of this study is to examine the effectiveness of a short theory of mind intervention for children with ASD. A second objective is to determine which subgroups within the autism spectrum profit most from the intervention. Methods This study is a randomized controlled trial. One hundred children with ASD, aged 7 to 12 years will be randomly assigned to an intervention or a waiting list control group. Outcome measures include the completion of theory of mind and emotion understanding tasks, and parent and teacher questionnaires on children’s social skills. Follow-up data for the intervention group will be collected 6 months after the interventions. Discussion This study evaluates the efficacy of a theory of mind intervention for children with ASD. Hypotheses, strengths, and limitations of the study are discussed. Trial registration Netherlands Trial Register NTR2327
Haule, Kristjan
2018-04-01
The Dynamical Mean Field Theory (DMFT) in combination with the band structure methods has been able to address reach physics of correlated materials, such as the fluctuating local moments, spin and orbital fluctuations, atomic multiplet physics and band formation on equal footing. Recently it is getting increasingly recognized that more predictive ab-initio theory of correlated systems needs to also address the feedback effect of the correlated electronic structure on the ionic positions, as the metal-insulator transition is almost always accompanied with considerable structural distortions. We will review recently developed extension of merger between the Density Functional Theory (DFT) and DMFT method, dubbed DFT+ embedded DMFT (DFT+eDMFT), whichsuccessfully addresses this challenge. It is based on the stationary Luttinger-Ward functional to minimize the numerical error, it subtracts the exact double-counting of DFT and DMFT, and implements self-consistent forces on all atoms in the unit cell. In a few examples, we will also show how the method elucidated the important feedback effect of correlations on crystal structure in rare earth nickelates to explain the mechanism of the metal-insulator transition. The method showed that such feedback effect is also essential to understand the dynamic stability of the high-temperature body-centered cubic phase of elemental iron, and in particular it predicted strong enhancement of the electron-phonon coupling over DFT values in FeSe, which was very recently verified by pioneering time-domain experiment.
International Nuclear Information System (INIS)
Vojtenko, A.I.; Gabovich, A.M.; Moiseev, D.P.; Postnikov, V.M.; Shpigel', A.S.
1990-01-01
Temperature dependences of the critical current I c across the symmetrical tunnel Josephson junctions between superconductors with partially-gapped electron spectrum were calculated. Densities J c of the critical current for the bulk Josephson-type samples and current-voltage characteristics of the tunnel-type were measured
Optical model theory of elastic electron- and positron-atom scattering at intermediate energies
International Nuclear Information System (INIS)
Joachain, C.J.
1977-01-01
It is stated that the basic idea of the optical model theory is to enable analysis of the elastic scattering of a particle from a complex target by replacing the complicated interactions between the beam and the target by an optical potential, or pseudopotential, in which the incident particle moves. Once the optical potential is determined the original many-body elastic scattering problem reduces to a one-body situation. The resulting optical potential is, however, a very complicated operator, and the formal expressions obtained from first principles for the optical potential can only be evaluated approximately in a few simple cases, such as high energy elastic hadron-nucleus scattering, for the the optical potential can be expressed in terms of two-body hadron-nucleon amplitudes, and the non-relativistic elastic scattering of fast charged particles by atoms. The elastic scattering of an electron or positron by a neutral atom at intermediate energies is here considered. Exchange effects between the projectile and the atomic electrons are considered; also absorption and polarisation effects. Applications of the full-wave optical model have so far only been made to the elastic scattering of fast electrons and positrons by atomic H, He, Ne, and Ar. Agreements of the optical model results with absolute measurements of differential cross sections for electron scattering are very good, an agreement that improves as the energy increases, but deteriorates quickly as the incident energy becomes lower than 50 eV for atomic H or 100 eV for He. For more complex atoms the optical model calculations also appear very encouraging. With regard to positron-atom elastic scattering the optical model results for positron-He scattering differ markedly at small angles from the corresponding electron-He values. It would be interesting to have experimental angular distributions of positron-atom elastic scattering in order to check predictions of the optical model theory. (U.K.)
International Nuclear Information System (INIS)
Lewis, Alan M.; Manolopoulos, David E.; Hore, P. J.
2014-01-01
We describe how the semiclassical theory of radical pair recombination reactions recently introduced by two of us [D. E. Manolopoulos and P. J. Hore, J. Chem. Phys. 139, 124106 (2013)] can be generalised to allow for different singlet and triplet recombination rates. This is a non-trivial generalisation because when the recombination rates are different the recombination process is dynamically coupled to the coherent electron spin dynamics of the radical pair. Furthermore, because the recombination operator is a two-electron operator, it is no longer sufficient simply to consider the two electrons as classical vectors: one has to consider the complete set of 16 two-electron spin operators as independent classical variables. The resulting semiclassical theory is first validated by comparison with exact quantum mechanical results for a model radical pair containing 12 nuclear spins. It is then used to shed light on the spin dynamics of a carotenoid-porphyrin-fullerene triad containing considerably more nuclear spins which has recently been used to establish a “proof of principle” for the operation of a chemical compass [K. Maeda, K. B. Henbest, F. Cintolesi, I. Kuprov, C. T. Rodgers, P. A. Liddell, D. Gust, C. R. Timmel, and P. J. Hore, Nature (London) 453, 387 (2008)]. We find in particular that the intriguing biphasic behaviour that has been observed in the effect of an Earth-strength magnetic field on the time-dependent survival probability of the photo-excited C ·+ PF ·− radical pair arises from a delicate balance between its asymmetric recombination and the relaxation of the electron spin in the carotenoid radical
International Nuclear Information System (INIS)
Kong, Ling-Bao; Wang, Hong-Yu; Hou, Zhi-Ling; Jin, Hai-Bo; Du, Chao-Hai
2013-01-01
The nonlinear theory of slow-wave electron cyclotron masers (ECM) with an initially straight electron beam is developed. The evolution equation of the nonlinear beam electron energy is derived. The numerical studies of the slow-wave ECM efficiency with inclusion of Gaussian beam velocity spread are presented. It is shown that the velocity spread reduces the interaction efficiency. -- Highlights: •The theory of slow-wave electron cyclotron masers is considered. •The calculation of efficiency under the resonance condition is presented. •The efficiency under Gaussian velocity spreads has been obtained
Energy Technology Data Exchange (ETDEWEB)
Kong, Ling-Bao, E-mail: konglingbao@gmail.com [School of Science, Beijing University of Chemical Technology, Beijing 100029 (China); Beijing Key Laboratory of Environmentally Harmful Chemicals Assessment, Beijing University of Chemical Technology, Beijing 100029 (China); Wang, Hong-Yu [School of Physics, Anshan Normal University, Anshan 114005 (China); Hou, Zhi-Ling, E-mail: houzl@mail.buct.edu.cn [School of Science, Beijing University of Chemical Technology, Beijing 100029 (China); Beijing Key Laboratory of Environmentally Harmful Chemicals Assessment, Beijing University of Chemical Technology, Beijing 100029 (China); Jin, Hai-Bo [School of Materials Science and Engineering, Beijing Institute of Technology, Beijing 100081 (China); Du, Chao-Hai [Institute of Electronics, Chinese Academy of Sciences, Beijing 100190 (China)
2013-12-15
The nonlinear theory of slow-wave electron cyclotron masers (ECM) with an initially straight electron beam is developed. The evolution equation of the nonlinear beam electron energy is derived. The numerical studies of the slow-wave ECM efficiency with inclusion of Gaussian beam velocity spread are presented. It is shown that the velocity spread reduces the interaction efficiency. -- Highlights: •The theory of slow-wave electron cyclotron masers is considered. •The calculation of efficiency under the resonance condition is presented. •The efficiency under Gaussian velocity spreads has been obtained.
Pishtshev, A.; Kristoffel, N.
2017-05-01
We outline our novel results relating to the physics of the electron-TO-phonon (el-TO-ph) interaction in a polar crystal. We explained why the el-TO-ph interaction becomes effectively strong in a ferroelectric, and showed how the electron density redistribution establishes favorable conditions for soft-behavior of the long-wavelength branch of the active TO vibration. In the context of the vibronic theory it has been demonstrated that at the macroscopic level the interaction of electrons with the polar zone-centre TO phonons can be associated with the internal long-range dipole forces. Also we elucidated a methodological issue of how local field effects are incorporated within the vibronic theory. These result provided not only substantial support for the vibronic mechanism of ferroelectricity but also presented direct evidence of equivalence between vibronic and the other lattice dynamics models. The corresponding comparison allowed us to introduce the original parametrization for constants of the vibronic interaction in terms of key material constants. The applicability of the suggested formula has been tested for a wide class of polar materials.
Quantum electrodynamic theory of recombination of an electron with a highly charged ion
International Nuclear Information System (INIS)
Shabaev, V.M.
1994-01-01
The consequent quantum electrodynamic theory of the process of the recombination of an electron with a multicharged ion is considered. The reduction technique for the calculation of this process by perturbation theory is formulated. The process of the recombination of an electron with a very highly charged one-electron ion for the case of resonance with the doubly excited (2s,2s) 0 , (2p 1/2 ,2p 1/2 ) 0 , (2s,2p 1/2 ) 0,1 states is studied. The formulas for the cross section of the process are derived for two possible versions of the experiment. The interference between the radiative-recombination process and the dielectronic-recombination (DR) process, and the interference between the DR amplitudes for the levels with the identical quantum numbers [(2s,2s) 0 , (2p 1/2 ) 0 ] are taken into account. The deviation of the shape of the resonances from the Lorentz one, due to the interference terms, is discussed
Role of Electronic Structure In Ion Band State Theory of Low Energy Nuclear Reactions
Chubb, Scott
2004-03-01
The Nuts and Bolts of our Ion Band State (IBS) theory of low energy nuclear reactions (LENR's) in palladium-deuteride (PdD) and palladium-hydride (PdH) are the electrons that hold together or tear apart the bonds (or lack of bonds) between deuterons (d's) or protons (p's) and the host material. In PdDx and PdH_x, this bonding is strongly correlated with loading: in ambient loading conditions (x< 0. 6), the bonding in hibits IBS occupation. As x arrow 1, slight increases and decreases in loading can lead to vibrations (which have conventionally been thought to occur from phonons) that can induce potential losses or increases of p/d. Naive assumptions about phonons fail to include these losses and increases. These effects can occur because neither H or D has core electrons and because in either PdD or PdH, the electrons near the Fermi Energy have negligible overlap with the nucleus of either D or H. I use these ideas to develop a formal justification, based on a generalization of conventional band theory (Scott Chubb, "Semi-Classical Conduction of Charged and Neutral Particles in Finite Lattices," 2004 March Meeting."), for the idea that occupation of IBS's can occur and that this can lead to nuclear reactions.
Electron confinement in quantum nanostructures: Self-consistent Poisson-Schroedinger theory
International Nuclear Information System (INIS)
Luscombe, J.H.; Bouchard, A.M.; Luban, M.
1992-01-01
We compute the self-consistent electron states and confining potential, V(r,T), for laterally confined cylindrical quantum wires at a temperature T from a numerical solution of the coupled Poisson and Schroedinger (PS) equations. Finite-temperature effects are included in the electron density function, n(r,T), via the single-particle density matrix in the grand-canonical ensemble using the self-consistent bound states. We compare our results for a GaAs quantum wire with those obtained previously [J. H. Luscombe and M. Luban, Appl. Phys. Lett. 57, 61 (1990)] from a finite-temperature Thomas-Fermi (TF) approximation. We find that the TF results agree well with those of the more realistic, but also more computationally intensive PS theory, except for low temperatures or for cases where the quantum wire is almost, but not totally, depleted due to a combination of either small geometry, surface boundary conditions, or low doping concentrations. In the latter situations, the number of subbands that are populated is relatively small, and both n(r,T) and V(r,T) exhibit Friedel-type oscillations. Otherwise the TF theory, which is based on free-particle states, is remarkably accurate. We also present results for the partial electron density functions associated with the angular momentum quantum numbers, and discuss their role in populating the quantum wire
International Nuclear Information System (INIS)
Wimmer, Robert
2005-01-01
We investigate the D0-D4-brane system for different B-field backgrounds including the small instanton singularity in noncommutative SYM theory. We discuss the excitation spectrum of the unstable state as well as for the BPS D0-D4 bound state. We compute the tachyon potential which reproduces the complete mass defect. The relevant degrees of freedom are the massless (4,4) strings. Both results are in contrast with existing string field theory calculations. The excitation spectrum of the small instanton is found to be equal to the excitation spectrum of the fluxon solution on R θ 2 x R which we trace back to T-duality. For the effective theory of the (0,0) string excitations we obtain a BFSS matrix model. The number of states in the instanton background changes significantly when the B-field becomes self-dual. This leads us to the proposal of the existence of a phase transition or cross over at self-dual B-field