Relativistic four-component multiconfigurational self-consistent-field theory for molecules
Jensen, Hans Jørgen Aa; Dyall, Kenneth G.; Saue, Trond
1996-01-01
A formalism for relativistic four-component multiconfigurational self-consistent-field calculations on molecules is presented. The formalism parallels a direct second-order restricted-step algorithm developed for nonrelativistic molecular calculations. The presentation here focuses on the differe......A formalism for relativistic four-component multiconfigurational self-consistent-field calculations on molecules is presented. The formalism parallels a direct second-order restricted-step algorithm developed for nonrelativistic molecular calculations. The presentation here focuses...
A direct relativistic four-component multiconfiguration self-consistent-field method for molecules
Thyssen, Jørn; Fleig, Timo; Jensen, Hans Jørgen Aagaard
2008-01-01
A new direct relativistic four-component Kramers-restricted multiconfiguration self-consistent-field (KR-MCSCF) code for molecules has been implemented. The program is based upon Kramers-paired spinors and a full implementation of the binary double groups (D2h* and subgroups). The underlying...... quaternion algebra for one-electron operators was extended to treat two-electron integrals and density matrices in an efficient and nonredundant way. The iterative procedure is direct with respect to both configurational and spinor variational parameters; this permits the use of large configuration...
A direct relativistic four-component multiconfiguration self-consistent-field method for molecules
Thyssen, Jørn; Fleig, Timo; Jensen, Hans Jørgen Aagaard
2008-01-01
a fully variational KR-MCSCF implementation. The general implementation also allows for the use of molecular integrals from a two-component relativistic Hamiltonian as, for example, the Douglas-Kroll-Hess variants. Several sample applications concern the determination of spectroscopic properties of heavy...
Ten-no, Seiichiro; Yamaki, Daisuke
2012-10-07
We propose explicitly correlated Ansatz for four-component relativistic methods within the framework of the no-pair approximation. Kinetically balanced geminal basis is derived to satisfy the cusp conditions in the non-relativistic limit based on the Lévy-Leblend-like equation. Relativistic variants of strong-orthogonality projection operator (Ansätze 2α and 2β) suitable for practical calculations are introduced by exploiting the orthogonal complement of the large-component basis. A pilot implementation is performed for the second order Møller-Plesset perturbation theory.
Iliaš, M.; Jensen, Hans Jørgen Aagaard; Bast, R.;
2013-01-01
better convergence of magnetisabilities with respect to the basis set size is observed compared to calculations employing a common gauge origin. In fact, it is mandatory to use London atomic orbitals unless you want to use ridiculously large basis sets. Relativistic effects on magnetisabilities are found......The use of magnetic-field dependent London atomic orbitals, also called gauge including atomic orbitals, is known to be an efficient choice for accurate non-relativistic calculations of magnetisabilities. In this work, the appropriate formulas were extended and implemented in the framework...... of the four-component relativistic linear response method at the self-consistent field single reference level. Benefits of employing the London atomic orbitals in relativistic calculations are illustrated with Hartree-Fock wave functions on the XF3 (X = N, P, As, Sb, Bi) series of molecules. Significantly...
Komorovsky, Stanislav; Repisky, Michal; Ruud, Kenneth; Malkina, Olga L; Malkin, Vladimir G
2013-12-27
A four-component relativistic method for the calculation of NMR shielding constants of paramagnetic doublet systems has been developed and implemented in the ReSpect program package. The method uses a Kramer unrestricted noncollinear formulation of density functional theory (DFT), providing the best DFT framework for property calculations of open-shell species. The evaluation of paramagnetic nuclear magnetic resonance (pNMR) tensors reduces to the calculation of electronic g tensors, hyperfine coupling tensors, and NMR shielding tensors. For all properties, modern four-component formulations were adopted. The use of both restricted kinetically and magnetically balanced basis sets along with gauge-including atomic orbitals ensures rapid basis-set convergence. These approaches are exact in the framework of the Dirac-Coulomb Hamiltonian, thus providing useful reference data for more approximate methods. Benchmark calculations on Ru(III) complexes demonstrate good performance of the method in reproducing experimental data and also its applicability to chemically relevant medium-sized systems. Decomposition of the temperature-dependent part of the pNMR tensor into the traditional contact and pseudocontact terms is proposed.
Cheng, Lan; Xiao, Yunlong; Liu, Wenjian
2009-12-28
It is recognized only recently that the incorporation of the magnetic balance condition is absolutely essential for four-component relativistic theories of magnetic properties. Another important issue to be handled is the so-called gauge problem in calculations of, e.g., molecular magnetic shielding tensors with finite bases. It is shown here that the magnetic balance can be adapted to distributed gauge origins, leading to, e.g., magnetically balanced gauge-including atomic orbitals (MB-GIAOs) in which each magnetically balanced atomic orbital has its own local gauge origin placed on its center. Such a MB-GIAO scheme can be combined with any level of theory for electron correlation. The first implementation is done here at the coupled-perturbed Dirac-Kohn-Sham level. The calculated molecular magnetic shielding tensors are not only independent of the choice of gauge origin but also converge rapidly to the basis set limit. Close inspections reveal that (zeroth order) negative energy states are only important for the expansion of first order electronic core orbitals. Their contributions to the paramagnetism are therefore transferable from atoms to molecule and are essentially canceled out for chemical shifts. This allows for simplifications of the coupled-perturbed equations.
Bast, Radovan; Thorvaldsen, Andreas J.; Ringholm, Magnus; Ruud, Kenneth
2009-02-01
We present the first analytic calculations of the second hyperpolarizability in a relativistic framework. The calculations are made possible by our recent developments of a response theory built on a quasienergy formalism, in which the basis set may be both time and perturbation dependent. The approach is formulated for an arbitrary self-consistent field state in the atomic orbital basis. The implementation consists of a stand-alone code that only requires the unperturbed density in the atomic orbital basis as input, as well as a linear response solver by which we can determine the perturbed density matrices to different orders, at each new order solving equations that have the same structure as the linear response equation. Using these features of our formalism, we extend in this paper our approach to the relativistic domain, utilizing both two- and four-component relativistic wave functions. We apply the formalism to the calculation of the electronic and pure vibrational contributions to the second hyperpolarizability tensor for the hydrogen halides. Our results demonstrate that relativistic effects can be substantial for frequency-dependent second hyperpolarizabilities. Due to changes in the pole structure when going to the relativistic domain, the relativistic corrections to the hyperpolarizabilities are not transferable between different optical processes, except for very low frequencies.
Bast, Radovan; Thorvaldsen, Andreas J.; Ringholm, Magnus [Centre for Theoretical and Computational Chemistry (CTCC), Department of Chemistry, University of Tromso, N-9037 Tromso (Norway); Ruud, Kenneth [Centre for Theoretical and Computational Chemistry (CTCC), Department of Chemistry, University of Tromso, N-9037 Tromso (Norway)], E-mail: kenneth.ruud@chem.uit.no
2009-02-17
We present the first analytic calculations of the second hyperpolarizability in a relativistic framework. The calculations are made possible by our recent developments of a response theory built on a quasienergy formalism, in which the basis set may be both time and perturbation dependent. The approach is formulated for an arbitrary self-consistent field state in the atomic orbital basis. The implementation consists of a stand-alone code that only requires the unperturbed density in the atomic orbital basis as input, as well as a linear response solver by which we can determine the perturbed density matrices to different orders, at each new order solving equations that have the same structure as the linear response equation. Using these features of our formalism, we extend in this paper our approach to the relativistic domain, utilizing both two- and four-component relativistic wave functions. We apply the formalism to the calculation of the electronic and pure vibrational contributions to the second hyperpolarizability tensor for the hydrogen halides. Our results demonstrate that relativistic effects can be substantial for frequency-dependent second hyperpolarizabilities. Due to changes in the pole structure when going to the relativistic domain, the relativistic corrections to the hyperpolarizabilities are not transferable between different optical processes, except for very low frequencies.
Christiansen, P.A.; Pitzer, K.S.
1980-07-01
The dissociation curve for the ground state of TlH was computed using a relativistic {omega}-{omega} coupling formalism. The relativistic effects represented by the Dirac equation were introduced using effective potentials generated from atomic Dirac-Fock wave functions using a generalization of the improved effective potential formulation of Christiansen, Lee, and Pitzer. The multiconfiguration SCF treatment used is a generalization of the two-component molecular spinor formalism of Lee, Ermler, and Pitzer. Using a five configuration wave function we were able to obtain approximately 85% of the experimental dissociation energy. Our computations indicate that the bond is principally sigma in form, despite the large spin-orbit splitting in atomic thallium. Furthermore the bond appears to be slightly ionic (Tl{sup +}H{sup -}) with about 0.3 extra electron charge on the hydrogen.
Komorovsky, Stanislav; Repisky, Michal; Malkin, Elena; Demissie, Taye B; Ruud, Kenneth
2015-08-11
We present an implementation of the nuclear spin-rotation (SR) constants based on the relativistic four-component Dirac-Coulomb Hamiltonian. This formalism has been implemented in the framework of the Hartree-Fock and Kohn-Sham theory, allowing assessment of both pure and hybrid exchange-correlation functionals. In the density-functional theory (DFT) implementation of the response equations, a noncollinear generalized gradient approximation (GGA) has been used. The present approach enforces a restricted kinetic balance condition for the small-component basis at the integral level, leading to very efficient calculations of the property. We apply the methodology to study relativistic effects on the spin-rotation constants by performing calculations on XHn (n = 1-4) for all elements X in the p-block of the periodic table and comparing the effects of relativity on the nuclear SR tensors to that observed for the nuclear magnetic shielding tensors. Correlation effects as described by the density-functional theory are shown to be significant for the spin-rotation constants, whereas the differences between the use of GGA and hybrid density functionals are much smaller. Our calculated relativistic spin-rotation constants at the DFT level of theory are only in fair agreement with available experimental data. It is shown that the scaling of the relativistic effects for the spin-rotation constants (varying between Z(3.8) and Z(4.5)) is as strong as for the chemical shieldings but with a much smaller prefactor.
Rajat K. Chaudhuri
2003-12-01
Full Text Available Abstract: The coupled cluster based linear response theory which is applicable to the direct calculation of atomic and molecular properties are presented and applied to compute the ionization potentials and excitation energies of light and moderately heavy atoms. The eÃ‚Â®ect of electron correlation on the ground and excited states is studied using Hartree-Fock, Dirac-Fock and approximate two-component relativistic spinors.
Lewin, Mathieu
2011-01-01
In a recent paper published in Nonlinear Analysis: Theory, Methods & Applications, C. Argaez and M. Melgaard studied excited states for pseudo-relativistic multi-configuration methods. Their paper follows a previous work of mine in the non-relativistic case (Arch. Rat. Mech. Anal., 171, 2004). The main results of the paper of C. Argaez and M. Melgaard are correct, but the proofs are both wrong and incomplete.
Jankowska, Marzena; Kupka, Teobald; Stobiński, Leszek
2016-01-01
Hartree-Fock and density functional theory with the hybrid B3LYP and general gradient KT2 exchange-correlation functionals were used for non-relativistic and relativistic nuclear magnetic shielding calculations of helium, neon, argon, krypton and xenon dimers and free atoms. Relativistic...
Hrobárik, Peter; Hrobáriková, Veronika; Meier, Florian; Repiský, Michal; Komorovský, Stanislav; Kaupp, Martin
2011-06-09
State-of-the-art relativistic four-component DFT-GIAO-based calculations of (1)H NMR chemical shifts of a series of 3d, 4d, and 5d transition-metal hydrides have revealed significant spin-orbit-induced heavy atom effects on the hydride shifts, in particular for several 4d and 5d complexes. The spin-orbit (SO) effects provide substantial, in some cases even the dominant, contributions to the well-known characteristic high-field hydride shifts of complexes with a partially filled d-shell, and thereby augment the Buckingham-Stephens model of off-center paramagnetic ring currents. In contrast, complexes with a 4d(10) and 5d(10) configuration exhibit large deshielding SO effects on their hydride (1)H NMR shifts. The differences between the two classes of complexes are attributed to the dominance of π-type d-orbitals for the true transition-metal systems compared to σ-type orbitals for the d(10) systems.
Kim, Inkoo; Lee, Yoon Sup, E-mail: yslee@kaist.edu [Department of Chemistry, Korea Advanced Institute of Science and Technology (KAIST), Daejeon 305-701 (Korea, Republic of)
2014-10-28
We report the formulation and implementation of KRCASPT2, a two-component multi-configurational second-order perturbation theory based on Kramers restricted complete active space self-consistent field (KRCASSCF) reference function, in the framework of the spin-orbit relativistic effective core potential. The zeroth-order Hamiltonian is defined as the sum of nondiagonal one-electron operators with generalized two-component Fock matrix elements as scalar factors. The Kramers symmetry within the zeroth-order Hamiltonian is maintained via the use of a state-averaged density, allowing a consistent treatment of degenerate states. The explicit expressions are derived for the matrix elements of the zeroth-order Hamiltonian as well as for the perturbation vector. The use of a fully variational reference function and nondiagonal operators in relativistic multi-configurational perturbation theory is reported for the first time. A series of initial calculations are performed on the ionization potential and excitation energies of the atoms of the 6p-block; the results display a significant improvement over those from KRCASSCF, showing a closer agreement with experimental results. Accurate atomic properties of the superheavy elements of the 7p-block are also presented, and the electronic structures of the low-lying excited states are compared with those of their lighter homologues.
Kim, Inkoo; Lee, Yoon Sup
2014-10-28
We report the formulation and implementation of KRCASPT2, a two-component multi-configurational second-order perturbation theory based on Kramers restricted complete active space self-consistent field (KRCASSCF) reference function, in the framework of the spin-orbit relativistic effective core potential. The zeroth-order Hamiltonian is defined as the sum of nondiagonal one-electron operators with generalized two-component Fock matrix elements as scalar factors. The Kramers symmetry within the zeroth-order Hamiltonian is maintained via the use of a state-averaged density, allowing a consistent treatment of degenerate states. The explicit expressions are derived for the matrix elements of the zeroth-order Hamiltonian as well as for the perturbation vector. The use of a fully variational reference function and nondiagonal operators in relativistic multi-configurational perturbation theory is reported for the first time. A series of initial calculations are performed on the ionization potential and excitation energies of the atoms of the 6p-block; the results display a significant improvement over those from KRCASSCF, showing a closer agreement with experimental results. Accurate atomic properties of the superheavy elements of the 7p-block are also presented, and the electronic structures of the low-lying excited states are compared with those of their lighter homologues.
Gourlaouen, Christophe; Piquemal, Jean-Philip; Saue, Trond; Parisel, Olivier
2006-01-30
Hartree-Fock and DFT (B3LYP) nonrelativistic (scalar relativistic pseudopotentials for the metallic cation) and relativistic (molecular four-component approach coupled to an all-electron basis set) calculations are performed on a series of six nd10 (n+1)s0 [M(H2O)]p+ complexes to investigate their geometry, either planar C2v or nonplanar C(s). These complexes are, formally, entities originating from the complexation of a water molecule to a metallic cation: in the present study, no internal reorganization has been found, which ensures that the complexes can be regarded as a water molecule interacting with a metallic cation. For [Au(H2O)]+ and [Hg(H2O)]2+, it is observed that both electronic correlation and relativistic effects are required to recover the C(s) structures predicted by the four-component relativistic all-electron DFT calculations. However, including the zero-point energy corrections makes these shallow C(s) minima vanish and the systems become floppy. In all other systems, namely [Cu(H2O)]+, [Zn(H2O)]2+, [Ag(H2O)]+, and [Cd(H2O)]2+, all calculations predict a C2v geometry arising from especially flat potential energy surfaces related to the out-of-plane wagging vibration mode. In all cases, our computations point to the quasi-perfect transferability of the atomic pseudopotentials considered toward the molecular species investigated. A rationalization of the shape of the wagging potential energy surfaces (i.e., single well vs. double well) is proposed based on the Constrained Space Orbital Variation decompositions of the complexation energies. Any way of stabilizing the lowest unoccupied orbital of the metallic cation is expected to favor charge-transfer (from the highest occupied orbital(s) of the water ligand), covalence, and, consequently, C(s) structures. The CSOV complexation energy decompositions unambiguously reveal that such stabilizations are achieved by means of relativistic effects for [Au(H2O)]+, and, to a lesser extent, for [Hg(H2O)]2
Correlated four-component EPR g-tensors for doublet molecules
Vad, M.S.; Pedersen, M.N.; Nørager, A.
2013-01-01
The first correlated ab initio four-component calculations of electron paramagnetic resonance (EPR) g-tensors for doublet radicals are reported. We have implemented a first-order degenerate perturbation theory approach based on the four-component Dirac-Coulomb Hamiltonian and fully relativistic c...
Analytic structure of solutions to multiconfiguration equations
Fournais, Soeren [Department of Mathematical Sciences, University of Aarhus, Ny Munkegade, Building 1530, DK-8000 Arhus C (Denmark); Hoffmann-Ostenhof, Maria [Fakultaet fuer Mathematik, Universitaet Wien, Nordbergstrasse 15, A-1090 Vienna (Austria); Hoffmann-Ostenhof, Thomas [Institut fuer Theoretische Chemie, Waehringerstrasse 17, Universitaet Wien, A-1090 Vienna (Austria); Soerensen, Thomas Oestergaard [Department of Mathematics, Imperial College London, Huxley Building, 180 Queen' s Gate, London SW7 2AZ (United Kingdom)], E-mail: fournais@imf.au.dk, E-mail: Maria.Hoffmann-Ostenhof@univie.ac.at, E-mail: thoffman@esi.ac.at, E-mail: t.sorensen@imperial.ac.uk
2009-08-07
We study the regularity at the positions of the (fixed) nuclei of solutions to (non-relativistic) multiconfiguration equations (including Hartree-Fock) of Coulomb systems. We prove the following: let {l_brace}{psi}{sub 1}, ..., {psi}{sub M}{r_brace} be any solution to the rank-M multiconfiguration equations for a molecule with L fixed nuclei at R{sub 1},...,R{sub L} element of R{sup 3}. Then, for any j in {l_brace}1, ..., M{r_brace}, k in {l_brace}1, ..., L{r_brace}, there exists a neighborhood U{sub j,k} subset or equal R{sup 3} of R{sub k}, and functions {psi}{sup (1)}{sub j,k}, {psi}{sup (2)}{sub j,k}, real analytic in U{sub j,k}, such that {phi}{sub j}(x)={phi}{sub j,k}{sup (1)}(x)+|x-R{sub k}|{phi}{sub j,k}{sup (2)}(x), x element of U{sub j,k}. A similar result holds for the corresponding electron density. The proof uses the Kustaanheimo-Stiefel transformation, as applied in [9] to the study of the eigenfunctions of the Schroedinger operator of atoms and molecules near two-particle coalescence points.
On the Failure of Multiconfiguration Methods in the Nonrelativistic Limit
Esteban, Maria J; Savin, Andreas
2009-01-01
The multiconfiguration Dirac-Fock method allows to calculate the state of relativistic electrons in atoms or molecules. This method has been known for a long time to provide certain wrong predictions in the nonrelativistic limit. We study in full mathematical details the nonlinear model obtained in the nonrelativistic limit for Be-like atoms. We show that the method with sp+pd configurations in the J=1 sector leads to a symmetry breaking phenomenon in the sense that the ground state is never an eigenvector of L^2 or S^2. We thereby complement and clarify some previous studies.
A multiconfigurational hybrid density-functional theory
Sharkas, Kamal; Savin, Andreas; Jensen, Hans Jørgen Aagaard
2012-01-01
We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the electron-electron interaction. This gives a straightforward extension ...
A multiconfigurational hybrid density-functional theory
Sharkas, Kamal; Savin, Andreas; Jensen, Hans Jørgen Aagaard
2012-01-01
We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the electron-electron interaction. This gives a straightforward extension ...
Relativistic corrections to molecular dynamic dipole polarizabilities
Kirpekar, Sheela; Oddershede, Jens; Jensen, Hans Jørgen Aagaard
1995-01-01
Using response function methods we report calculations of the dynamic isotropic polarizability of SnH4 and PbH4 and of the relativistic corrections to it in the random phase approximation and at the correlated multiconfigurational linear response level of approximation. All relativistic corrections...
A multiconfigurational hybrid density-functional theory
Sharkas, Kamal; Jensen, Hans Jørgen Aa; Toulouse, Julien; 10.1063/1.4733672
2012-01-01
We propose a multiconfigurational hybrid density-functional theory which rigorously combines a multiconfiguration self-consistent-field calculation with a density-functional approximation based on a linear decomposition of the electron-electron interaction. This gives a straightforward extension of the usual hybrid approximations by essentially adding a fraction \\lambda of exact static correlation in addition to the fraction \\lambda of exact exchange. Test calculations on the cycloaddition reactions of ozone with ethylene or acetylene and the dissociation of diatomic molecules with the Perdew-Burke-Ernzerhof (PBE) and Becke-Lee-Yang-Parr (BLYP) density functionals show that a good value of \\lambda is 0.25, as in the usual hybrid approximations. The results suggest that the proposed multiconfigurational hybrid approximations can improve over usual density-functional calculations for situations with strong static correlation effects.
Nonlinear propagation of positron-acoustic waves in a four component space plasma
Shah, M. G.; Hossen, M. R.; Mamun, A. A.
2015-10-01
> The nonlinear propagation of positron-acoustic waves (PAWs) in an unmagnetized, collisionless, four component, dense plasma system (containing non-relativistic inertial cold positrons, relativistic degenerate electron and hot positron fluids as well as positively charged immobile ions) has been investigated theoretically. The Korteweg-de Vries (K-dV), modified K-dV (mK-dV) and further mK-dV (fmK-dV) equations have been derived by using reductive perturbation technique. Their solitary wave solutions have been numerically analysed in order to understand the localized electrostatic disturbances. It is observed that the relativistic effect plays a pivotal role on the propagation of positron-acoustic solitary waves (PASW). It is also observed that the effects of degenerate pressure and the number density of inertial cold positrons, hot positrons, electrons and positively charged static ions significantly modify the fundamental features of PASW. The basic features and the underlying physics of PASW, which are relevant to some astrophysical compact objects (such as white dwarfs, neutron stars etc.), are concisely discussed.
Quantized Vortices and Four-Component Superfluidity of Semiconductor Excitons.
Anankine, Romain; Beian, Mussie; Dang, Suzanne; Alloing, Mathieu; Cambril, Edmond; Merghem, Kamel; Carbonell, Carmen Gomez; Lemaître, Aristide; Dubin, François
2017-03-24
We study spatially indirect excitons of GaAs quantum wells, confined in a 10 μm electrostatic trap. Below a critical temperature of about 1 K, we detect macroscopic spatial coherence and quantized vortices in the weak photoluminescence emitted from the trap. These quantum signatures are restricted to a narrow range of density, in a dilute regime. They manifest the formation of a four-component superfluid, made by a low population of optically bright excitons coherently coupled to a dominant fraction of optically dark excitons.
Ilias, Miroslav; Saue, Trond; Enevoldsen, Thomas
2009-01-01
The use of perturbation-dependent London atomic orbitals, also called gauge including atomic orbitals, has proven efficient for calculations of NMR shielding constants and other magnetic properties in the nonrelativistic framework. In this paper, the theory of London atomic orbitals for NMR...... calculates the diamagnetic contribution as an expectation value, leads to significant errors and is not recommended. (C) 2009 American Institute of Physics. [doi:10.1063/1.3240198]...
Knecht, Stefan; Jensen, Hans Jørgen Aagaard; Fleig, Timo
2010-01-01
We present a parallel implementation of a large-scale relativistic double-group configuration interaction CIprogram. It is applicable with a large variety of two- and four-component Hamiltonians. The parallel algorithm is based on a distributed data model in combination with a static load balanci...
Four-component united-atom model of bitumen
Hansen, Jesper Schmidt; Lemarchand, Claire; Nielsen, Erik
2013-01-01
We propose a four-component united-atom molecular model of bitumen. The model includes realistic chemical constituents and introduces a coarse graining level that suppresses the highest frequency modes. Molecular dynamics simulations of the model are carried out using graphic-processor-units based...... software in time spans in order of microseconds, which enables the study of slow relaxation processes characterizing bitumen. This paper also presents results of the model dynamics as expressed through the mean-square displacement, the stress autocorrelation function, and rotational relaxation...... the stress autocorrelation function, the shear viscosity and shear modulus are evaluated, showing a viscous response at frequencies below 100 MHz. The model predictions of viscosity and diffusivities are compared to experimental data, giving reasonable agreement. The model shows that the asphaltene, resin...
Four-component united-atom model of bitumen
Hansen, Jesper S; Nielsen, Erik; Dyre, Jeppe C; Schrøder, Thomas B
2013-01-01
We propose a four-component molecular model of bitumen. The model includes realistic chemical constituents and introduces a coarse-graining level that suppresses the highest frequency modes. Molecular dynamics simulations of the model are being carried out using Graphic-Processor-Units based software in time spans in order of microseconds, and this enables the study of slow relaxation processes characterizing bitumen. This paper focuses on the high-temperature dynamics as expressed through the mean-square displacement, the stress autocorrelation function, and rotational relaxation. The diffusivity of the individual molecules changes little as a function of temperature and reveals distinct dynamical time scales as a result of the different constituents in the system. Different time scales are also observed for the rotational relaxation. The stress autocorrelation function features a slow non-exponential decay for all temperatures studied. From the stress autocorrelation function, the shear viscosity and shear ...
Multiconfiguration Pair-Density Functional Theory.
Li Manni, Giovanni; Carlson, Rebecca K; Luo, Sijie; Ma, Dongxia; Olsen, Jeppe; Truhlar, Donald G; Gagliardi, Laura
2014-09-09
We present a new theoretical framework, called Multiconfiguration Pair-Density Functional Theory (MC-PDFT), which combines multiconfigurational wave functions with a generalization of density functional theory (DFT). A multiconfigurational self-consistent-field (MCSCF) wave function with correct spin and space symmetry is used to compute the total electronic density, its gradient, the on-top pair density, and the kinetic and Coulomb contributions to the total electronic energy. We then use a functional of the total density, its gradient, and the on-top pair density to calculate the remaining part of the energy, which we call the on-top-density-functional energy in contrast to the exchange-correlation energy of Kohn-Sham DFT. Because the on-top pair density is an element of the two-particle density matrix, this goes beyond the Hohenberg-Kohn theorem that refers only to the one-particle density. To illustrate the theory, we obtain first approximations to the required new type of density functionals by translating conventional density functionals of the spin densities using a simple prescription, and we perform post-SCF density functional calculations using the total density, density gradient, and on-top pair density from the MCSCF calculations. Double counting of dynamic correlation or exchange does not occur because the MCSCF energy is not used. The theory is illustrated by applications to the bond energies and potential energy curves of H2, N2, F2, CaO, Cr2, and NiCl and the electronic excitation energies of Be, C, N, N(+), O, O(+), Sc(+), Mn, Co, Mo, Ru, N2, HCHO, C4H6, c-C5H6, and pyrazine. The method presented has a computational cost and scaling similar to MCSCF, but a quantitative accuracy, even with the present first approximations to the new types of density functionals, that is comparable to much more expensive multireference perturbation theory methods.
Core correlation effects in multiconfiguration calculations of isotope shifts in Mg I
Filippin, Livio; Ekman, Jörgen; Jönsson, Per
2016-01-01
The present work reports results from systematic multiconfiguration Dirac-Hartree-Fock calculations of isotope shifts for several well-known transitions in neutral magnesium. Relativistic normal and specific mass shift factors as well as the electronic probability density at the origin are calculated. Combining these electronic quantities with available nuclear data, energy and transition level shifts are determined for the $^{26}$Mg$-^{24}$Mg pair of isotopes. Different models for electron correlation are adopted. It is shown that although valence and core-valence models provide accurate values for the isotope shifts, the inclusion of core-core excitations in the computational strategy significantly improves the accuracy of the transition energies and normal mass shift factors.
Computationally Efficient Multiconfigurational Reactive Molecular Dynamics.
Yamashita, Takefumi; Peng, Yuxing; Knight, Chris; Voth, Gregory A
2012-12-11
It is a computationally demanding task to explicitly simulate the electronic degrees of freedom in a system to observe the chemical transformations of interest, while at the same time sampling the time and length scales required to converge statistical properties and thus reduce artifacts due to initial conditions, finite-size effects, and limited sampling. One solution that significantly reduces the computational expense consists of molecular models in which effective interactions between particles govern the dynamics of the system. If the interaction potentials in these models are developed to reproduce calculated properties from electronic structure calculations and/or ab initio molecular dynamics simulations, then one can calculate accurate properties at a fraction of the computational cost. Multiconfigurational algorithms model the system as a linear combination of several chemical bonding topologies to simulate chemical reactions, also sometimes referred to as "multistate". These algorithms typically utilize energy and force calculations already found in popular molecular dynamics software packages, thus facilitating their implementation without significant changes to the structure of the code. However, the evaluation of energies and forces for several bonding topologies per simulation step can lead to poor computational efficiency if redundancy is not efficiently removed, particularly with respect to the calculation of long-ranged Coulombic interactions. This paper presents accurate approximations (effective long-range interaction and resulting hybrid methods) and multiple-program parallelization strategies for the efficient calculation of electrostatic interactions in reactive molecular simulations.
Selection of active spaces for multiconfigurational wavefunctions
Keller, Sebastian; Boguslawski, Katharina; Reiher, Markus, E-mail: markus.reiher@phys.chem.ethz.ch [Laboratorium für Physikalische Chemie, ETH Zürich, Vladimir-Prelog-Weg 2, CH-8093 Zürich (Switzerland); Janowski, Tomasz; Pulay, Peter, E-mail: pulay@uark.edu [Department of Chemistry and Biochemistry, Fulbright College of Arts and Sciences, University of Arkansas, Fayetteville, Arkansas 72701 (United States)
2015-06-28
The efficient and accurate description of the electronic structure of strongly correlated systems is still a largely unsolved problem. The usual procedures start with a multiconfigurational (usually a Complete Active Space, CAS) wavefunction which accounts for static correlation and add dynamical correlation by perturbation theory, configuration interaction, or coupled cluster expansion. This procedure requires the correct selection of the active space. Intuitive methods are unreliable for complex systems. The inexpensive black-box unrestricted natural orbital (UNO) criterion postulates that the Unrestricted Hartree-Fock (UHF) charge natural orbitals with fractional occupancy (e.g., between 0.02 and 1.98) constitute the active space. UNOs generally approximate the CAS orbitals so well that the orbital optimization in CAS Self-Consistent Field (CASSCF) may be omitted, resulting in the inexpensive UNO-CAS method. A rigorous testing of the UNO criterion requires comparison with approximate full configuration interaction wavefunctions. This became feasible with the advent of Density Matrix Renormalization Group (DMRG) methods which can approximate highly correlated wavefunctions at affordable cost. We have compared active orbital occupancies in UNO-CAS and CASSCF calculations with DMRG in a number of strongly correlated molecules: compounds of electronegative atoms (F{sub 2}, ozone, and NO{sub 2}), polyenes, aromatic molecules (naphthalene, azulene, anthracene, and nitrobenzene), radicals (phenoxy and benzyl), diradicals (o-, m-, and p-benzyne), and transition metal compounds (nickel-acetylene and Cr{sub 2}). The UNO criterion works well in these cases. Other symmetry breaking solutions, with the possible exception of spatial symmetry, do not appear to be essential to generate the correct active space. In the case of multiple UHF solutions, the natural orbitals of the average UHF density should be used. The problems of the UNO criterion and their potential solutions
Stochastic multi-configurational self-consistent field theory
Thomas, Robert E; Alavi, Ali; Booth, George H
2015-01-01
The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular problems. The limitation of the approach is generally given by the number of strongly-correlated orbitals in the molecule, as its cost will grow exponentially with this number. We present a new multi-configurational self-consistent field approach, wherein linear determinant coefficients of a multi-configurational wavefunction are optimized via the stochastic full configuration interaction quantum Monte Carlo technique at greatly reduced computational cost, with non-linear orbital rotation parameters updated variationally based on this sampled wavefunction. This extends this approach to strongly-correlated systems with far larger active spaces than it is possible to treat by conventional means. By comparison with this traditional approach, we demonstrate that the introduction of stochastic noise in both the determinant amplitudes an...
Measuring Multi-Configurational Character by Orbital Entanglement
Stein, Christopher J
2016-01-01
One of the most critical tasks at the very beginning of a quantum chemical investigation is the choice of either a multi- or single-configurational method. Naturally, many proposals exist to define a suitable diagnostic of the multi-configurational character for various types of wave functions in order to assist this crucial decision. Here, we present a new orbital-entanglement based multi-configurational diagnostic termed $Z_{s(1)}$. The correspondence of orbital entanglement and static (or nondynamic) electron correlation permits the definition of such a diagnostic. We chose our diagnostic to meet important requirements such as well-defined limits for pure single-configurational and multi-configurational wave functions. The $Z_{s(1)}$ diagnostic can be evaluated from a partially converged, but qualitatively correct, and therefore inexpensive density matrix renormalization group wave function as in our recently presented automated active orbital selection protocol. Its robustness and the fact that it can be ...
Darboux Transformation for a Four-Component KdV Equation
Li, Nian-Hua; Wu, Li-Hua
2016-10-01
With the aid of a gauge transformation, we propose a Darboux transformation for a four-component KdV equation. As an application, we obtain some explicit solutions for the four-component KdV equation. Supported by the National Natural Science Foundation of China under Grant Nos. 11401572, 11401230, and 11505064 and Promotion Program for Young and Middle-aged Teacher in Science and Technology Research of Huaqiao University under Grant No. ZQN-PY301
Quasi-periodic solutions to the hierarchy of four-component Toda lattices
Wei, Jiao; Geng, Xianguo; Zeng, Xin
2016-08-01
Starting from a discrete 3×3 matrix spectral problem, the hierarchy of four-component Toda lattices is derived by using the stationary discrete zero-curvature equation. Resorting to the characteristic polynomial of the Lax matrix for the hierarchy, we introduce a trigonal curve Km-2 of genus m - 2 and present the related Baker-Akhiezer function and meromorphic function on it. Asymptotic expansions for the Baker-Akhiezer function and meromorphic function are given near three infinite points on the trigonal curve, from which explicit quasi-periodic solutions for the hierarchy of four-component Toda lattices are obtained in terms of the Riemann theta function.
Watanabe, Asami
2009-04-01
This study examines the relationship between four components of assertiveness ("open expression", "control of emotion", "consideration for others" and "self-direction") and mental health. In Study 1, the analysis of interviews with thirteen high school students suggested that some components did not have a positive relationship with mental health. In Study 2, 176 high school students completed a questionnaire which included the UCLA isolation scale, the General Health Questionnaire (GHQ) and a scale to measure the four components of assertiveness. The results showed that an excessively high score for "consideration for others" was associated with mental unhealthiness. This component probably has an optimum level to maintain mental health.
Bihani, Manisha; Bora, Pranjal P; Verma, Alakesh K; Baruah, Reshita; Boruah, Hari Prasanna Deka; Bez, Ghanashyam
2015-12-15
Enzymatic four-component reactions are very rare although three-component enzymatic promiscuous reactions are widely reported. Herein, we report an efficient PASE protocol for the synthesis of potentially lipophilic zwitterionic 5-monosubstituted barbiturates by four component reaction of mixture of ethyl acetoacetate, hydrazine hydrate, aldehyde and barbituric acid in ethanol at room temperature. Seven different lipases were screened for their promiscuous activity towards the synthesis of 5-monosubstituted barbiturates and the lipase from porcine pancreas (PPL) found to give optimum efficiency. The zwitterionic 5-monosubstituted barbiturates with pyrazolyl ring showed promising pharmacological activity upon screening for antibacterial and apoptotic properties.
Multiconfigurational self-consistent reaction field theory for nonequilibrium solvation
Mikkelsen, Kurt V.; Cesar, Amary; Ågren, Hans
1995-01-01
We present multiconfigurational self-consistent reaction field theory and implementation for solvent effects on a solute molecular system that is not in equilibrium with the outer solvent. The approach incorporates two different polarization vectors for studying the influence of the solvent...... states influenced by the two types of polarization vectors. The general treatment of the correlation problem through the use of complete and restricted active space methodologies makes the present multiconfigurational self-consistent reaction field approach general in that it can handle any type of state......, open-shell, excited, and transition states. We demonstrate the theory by computing solvatochromatic shifts in optical/UV spectra of some small molecules and electron ionization and electron detachment energies of the benzene molecule. It is shown that the dependency of the solvent induced affinity...
Teleportation of a two-particle four-component squeezed vacuum state by linear optical elements
Huina Chen; Jinming Liu
2009-01-01
We present a linear optical scheme for achieving a unity fidelity teleportation of a two-particle four component squeezed vacuum state using two entangled squeezed vacuum states as quantum channel.The devices used are beam splitters and ideal photon detectors capable of distinguishing between odd and even photon numbers.Moreover,we also obtain the success probability of the teleportation scheme.
One-pot four component synthesis of novel 3-furyl coumarin derivatives
Venkata Prasad Jalli; Suvratha Krishnamurthy; Tetsuji Moriguchi; Akihiko Tsuge
2016-02-01
Efficient and facile synthesis of 3-furyl coumarin derivatives have been achieved by reaction of 4-chloro-3-formylcoumarin, secondary amines, dialkyl acetylenedicarboxylates and diversely substituted isocyanides using four component, one-pot reaction. All the products were isolated as yellow color fluorescent solids by column chromatography in quantitative yield and characterized with 1H NMR, 13C NMR, IR and FAB mass.
THEORETICAL CALCULATION OF THE RELATIVISTIC SUBCONFIGURATION-AVERAGED TRANSITION ENERGIES
张继彦; 杨向东; 杨国洪; 张保汉; 雷安乐; 刘宏杰; 李军
2001-01-01
A method for calculating the average energies of relativistic subconfigurations in highly ionized heavy atoms has been developed in the framework of the multiconfigurational Dirac-Fock theory. The method is then used to calculate the average transition energies of the spin-orbit-split 3d-4p transition of Co-like tungsten, the 3d-5f transition of Cu-like tantalum, and the 3d-5f transitions of Cu-like and Zn-like gold samples. The calculated results are in good agreement with those calculated with the relativistic parametric potential method and also with the experimental results.
Relativistic calculation of dielectronic recombination for He-like krypton
Shi Xi-Heng; Wang Yan-Sen; Chen Chong-Yang; Gu Ming-Feng
2005-01-01
Dielectronic recombination (DR) cross sections and rate coefficients of He-like Kr are calculated employing the relativistic flexible atomic code, in which autoionization rates are calculated based on the relativistic distorted-wave approximation and the configuration interaction is considered. The Auger and total radiative rates of some strong resonances are listed and compared with the results from multiconfiguration Dirac-Fock and Hebrew University Lawrence Livermore Atomic Code methods. The n-3 scaling law is checked and used to extrapolate rate coefficients. We also show the variation of DR branching ratio with different DR resonances or atomic number Z. The effect of radiative cascades on DR cross sections are studied.
Failure of relativistic codes in the non-relativistic limit: the role of Brillouin configurations
Indelicato, P J; Desclaux, J P
2004-01-01
In the present letter we solve a long standing problem with relativistic calculations done with the widely used Multi-Configuration Dirac-Fock Method. We show, using Relativistic Many-Body Perturbation Theory (RMBPT), how even for relatively high-$Z$, relaxation or correlation causes the non-relativistic limit of states of different total angular momentum but identical orbital angular momentum to have different energies. We identify the role of single excitations obeying to Brillouin's theorem in this problem. We show that with large scale calculations in which this problem is properly treated, we can reproduce very accurately recent high-precision measurements in F-like Ar, and turn then into precise test of QED
Multi-Configuration Dirac–Hartree–Fock (MCDHF Calculations for B-Like Ions
Indu Khatri
2016-05-01
Full Text Available Relativistic configuration interaction results are presented for several B-like ions (Ge XXVIII, Rb XXXIII, Sr XXXIV, Ru XL, Sn XLVI, and Ba LII using the multi-configuration Dirac–Hartree–Fock (MCDHF method. The calculations are carried out in the active space approximation with the inclusion of the Breit interaction, the finite nuclear size effect, and quantum electrodynamic corrections. Results for fine structure energy levels for 1s22s22p and 2s2p2 configurations relative to the ground state are reported. The transition wavelengths, transition probabilities, line strengths, and absorption oscillator strengths for 2s22p–2s2p2 electric dipole (E1 transitions are calculated. Both valence and core-valence correlation effects were accounted for through single-double multireference (SD-MR expansions to increasing sets of active orbitals. Comparisons are made with the available data and good agreement is achieved. The values calculated using core–valence correlation are found to be very close to other theoretical and experimental values. The behavior of oscillator strengths as a function of nuclear charge is studied. We believe that our results can guide experimentalists in identifying the fine-structure levels in their future work.
Paraxial analysis of four-component zoom lens with fixed distance between focal points.
Miks, Antonin; Novak, Jiri
2012-07-20
Zoom lenses with a fixed distance between focal points are analyzed. Formulas are derived for the primary design of basic parameters of a four-component zoom lens. It is also demonstrated that a three-component zoom lens can be analyzed using derived formulas. Zoom lenses with such a design can be used in a 4-f system with variable magnification or as a part of a double side telecentric lenses with variable magnification.
Efficient one-pot four-component synthesis of fused thiazolopyridin-2-ones in ionic liquid
Prashant Singh; Kamlesh Kumari; Gaurav Kaithwas; Gaurav Kaithwas
2013-11-01
An efficient one-pot synthesis of fused thiazolopyridinone derivatives (5-amino-6,7-diphenyl-4,7-dihydro-3H-thiazolo[4,5-b]pyridin-2-ones) by four-component reaction of aldehyde, benzylcyanide, ammonium acetate and thiazolidine-2,4-dione in ionic liquid is reported. This protocol has the advantages of environmental friendliness, higher yields, less reaction time, and convenient operation. Also, optimization of the synthesized compounds has been done using Hyperchem 8.0.
无
2007-01-01
UV Spectrophotometric Target Factor Analysis (TFA) was used for the simultaneous determination of four components (acetaminophen, guuaifenesin, caffeine, Chlorphenamine maleate) in cough syrup. The computer program of TFA is based on VC++ language. The difficulty of overlapping of absorption spectra of four compounds was overcome by this procedure. The experimental results show that the average recovery of each component is all in the range from 98.9% to 106.8% and each component obtains satisfactory results without any pre-separation.
Demianski, Marek
2013-01-01
Relativistic Astrophysics brings together important astronomical discoveries and the significant achievements, as well as the difficulties in the field of relativistic astrophysics. This book is divided into 10 chapters that tackle some aspects of the field, including the gravitational field, stellar equilibrium, black holes, and cosmology. The opening chapters introduce the theories to delineate gravitational field and the elements of relativistic thermodynamics and hydrodynamics. The succeeding chapters deal with the gravitational fields in matter; stellar equilibrium and general relativity
Ground State Correlations and the Multiconfiguration Mixing Method
Pillet, N; Van Giai, N; Berger, J F; Giai, Nguyen Van
2004-01-01
We study the convergence properties of a truncation scheme in describing the ground state properties of a many-particle system of fermions. The model wave function is built within a multiconfiguration mixing approach where the many-body wave function is described as a superposition of multiparticle-multihole configurations constructed upon a Slater determinant. The convergence properties of physical quantities such as correlation energies and single-particle occupation probabilities in terms of the increasing number of particle-hole configurations are investigated for the case of an exactly solvable pairing hamiltonian.
Multiconfiguration calculations of electronic isotope shift factors in Al I
Filippin, Livio; Ekman, Jörgen; Fritzsche, Stephan; Godefroid, Michel; Jönsson, Per
2016-01-01
The present work reports results from systematic multiconfiguration Dirac-Hartree-Fock calculations of electronic isotope shift factors for a set of transitions between low-lying states in neutral aluminium. These electronic quantities together with observed isotope shifts between different pairs of isotopes provide the changes in mean-square charge radii of the atomic nuclei. Two computational approaches are adopted for the estimation of the mass- and field shift factors. Within these approaches, different models for electron correlation are explored in a systematic way to determine a reliable computational strategy and estimate theoretical uncertainties of the isotope shift factors.
Junjun Yin; Jian Yang
2014-01-01
An improved algorithm for multi-polarization recon-struction from compact polarimetry (CP) is proposed. According to two fundamental assumptions in compact polarimetric reconstruc-tion, two improvements are proposed. Firstly, the four-component model-based decomposition algorithm is modified with a new vol-ume scattering model. The decomposed helix scattering compo-nent is then used to deal with the non-reflection symmetry con-dition in compact polarimetric measurements. Using the decom-posed power and considering the scattering mechanism of each component, an average relationship between co-polarized and cross-polarized channels is developed over the original polariza-tion state extrapolation model. E-SAR polarimetric data acquired over the Oberpfaffenhofen area and JPL/AIRSAR polarimetric data acquired over San Francisco are used for verification, and good re-construction results are obtained, demonstrating the effectiveness of the proposed algorithm.
Coupled dust drift acoustic shock and soliton in collisional four component magnetized dusty plasmas
Farooq, M.; Ahmad, Mushtaq; Jan, Qasim
2017-09-01
Low frequency electrostatic coupled dust drift dust acoustic waves are studied in an inhomogeneous, collisional four component dust magnetoplasma composed of dust components of opposite polarity, along with Boltzmannian ions and electrons. The nonlinear evolution equation in the form of an ordinary differential equation and its limiting cases are derived and solved using the Tanh-method. The numerical analysis of the obtained solutions is studied for both laboratory and cosmic plasma systems. It is observed that, depending on the values of the plasma parameters like ion and electron temperatures, and charge number, both rarefactive and compressive shock and solitary waves may exist. It is shown that the concepts of a critical ion and electron temperatures/density in the nonlinear equations treatment, and of a changeover from compressive to rarefactive shock and soliton characters, correspond to the formation of rarefactive regimes, at which the electric stresses maximize and density minimizes.
Two-Component Description for Relativistic Fermions
CHEN Yu-Qi; SANG Wen-Long; YANG Lan-Fei
2009-01-01
We propose a two-component form to describe massive relativistic fermions in gauge theories. Relations between the Green's functions in this form and those in the conventional four-component form are derived. It is shown that the S-matrix elements in both forms are exactly the same. The description of the fermion in the new form simplifies significantly the γ-matrix algebra in the four-component form. In particular, in perturbative calculations the propagator of the fermion is a scalar function. As examples, we use this form to reproduce the relativistic spectrum of hydrodron atom, the S-matrix of e+ e-→μ+ μ- and QED one-loop vacuum polarization of photon.
Generalized Møller-Plesset Partitioning in Multiconfiguration Perturbation Theory.
Kobayashi, Masato; Szabados, Ágnes; Nakai, Hiromi; Surján, Péter R
2010-07-13
Two perturbation (PT) theories are developed starting from a multiconfiguration (MC) zero-order function. To span the configuration space, the theories employ biorthogonal vector sets introduced in the MCPT framework. At odds with previous formulations, the present construction operates with the full Fockian corresponding to a principal determinant, giving rise to a nondiagonal matrix of the zero-order resolvent. The theories provide a simple, generalized Møller-Plesset (MP) second-order correction to improve any reference function, corresponding either to a complete or incomplete model space. Computational demand of the procedure is determined by the iterative inversion of the Fockian, similarly to the single reference MP theory calculated in a localized basis. Relation of the theory to existing multireference (MR) PT formalisms is discussed. The performance of the present theories is assessed by adopting the antisymmetric product of strongly orthogonal geminal (APSG) wave functions as the reference function.
Ion-acoustic Gardner solitons in a four-component nonextensive multi-ion plasma
Jannat, N.; Ferdousi, M.; Mamun, A. A.
2016-07-01
The nonlinear propagation of ion-acoustic (IA) solitary waves (SWs) in a four-component non-extensive multi-ion plasma system containing inertial positively charged light ions, negatively charged heavy ions, as well as noninertial nonextensive electrons and positrons has been theoretically investigated. The reductive perturbation method has been employed to derive the nonlinear equations, namely, Korteweg-deVries (KdV), modified KdV (mKdV), and Gardner equations. The basic features (viz. polarity, amplitude, width, etc.) of Gardner solitons are found to exist beyond the KdV limit and these IA Gardner solitons are qualitatively different from the KdV and mKdV solitons. It is observed that the basic features of IA SWs are modified by various plasma parameters (viz. electron and positron nonextensivity, electron number density to ion number density, and electron temperature to positron temperature, etc.) of the considered plasma system. The results obtained from this theoretical investigation may be useful in understanding the basic features of IA SWs propagating in both space and laboratory plasmas.
Sanmang Wu
Full Text Available Four major components influence the growth of the gross domestic product in Chinese provinces: consumption, investment, transnational exports, and inter-provincial exports. By splitting a competitive input-output table into a non-competitive input-output table, this study used an input-output model to measure the contributions of the four components of gross domestic product in various regions in China. We found that international exports drove the growth of the gross domestic product more strongly in the eastern region than in other regions. Investment and inter-provincial exports were the major impetus for gross domestic product growth in the central and western regions. We also found that consumption played a minimal role in driving the growth of the gross domestic product in all regions in China. According to these findings, although various regions can share much in terms of policies to transform the impetus for economic growth, there should be different foci for different regions. Their shared policy is to increase the role of final consumption in stimulating economic growth. Region-specific policies mandate that the eastern region should strengthen the driving force provided by international exports and that the central and western regions should strengthen indigenous growth capabilities by improving scientific innovation, industrial support, and institutional innovation.
Four-component pharmacophore model for endomorphins toward μ opioid receptor subtypes.
Wu, Yng-Ching; Jaglinski, Tim; Hsieh, Jin-Yuan; Chiu, Jia-Jyun; Chiang, Tzen-Yuh; Hwang, Chi-Chuan
2012-02-01
In the present work, a series of simulation tools were used to determine structure-activity relationships for the endomorphins (EMs) and derive μ-pharmacophore models for these peptides. Potential lowest energy conformations were determined in vacuo by systematically varying the torsional angles of the Tyr(1)-Pro(2) (ω(1)) and Pro(2)-Trp(3)/Phe(3) (ω(2)) as tuning parameters in AM1 calculations. These initial models were then exposed to aqueous conditions via molecular dynamics simulations. In aqueous solution, the simulations suggest that endomorphin conformers strongly favor the trans/trans pair of the ω(1)/ω(2) amide bonds. From two-dimensional probability distributions of the ring-to-ring distances with respect to the pharmacophoric angles for EMs, a selectivity range of μ(1) is ca. 8.3 ~ 10.5 Å for endomorphin-2 and selectivity range of μ(2) is ca. 10.5 ~ 13.0 Å for endomorphin-1 were determined. Four-component μ-pharmacophore models are proposed for EMs and are compared to the previously published δ- and κ-pharmacophore models.
PLA-b-PEG/magnetite hyperthermic agent prepared by Ugi four component condensation
L. P. Icart
2016-03-01
Full Text Available Ugi four component condensation (UFCC, is an important tool for the synthesis of different types of bioconjugate species. In this study, a PLA-PEG/magnetite magnetic composite was prepared by a synthetic-route approach based on UFCC. In particular, poly(lactic acid (PLA was synthesized by autocatalytic polycondensation. Also, poly(ethyleneglycol bis-amine (bis-amine PEG was synthesized by two different methods: via carbonyldiimidazol (CDI/ethylenediamine (ED (75% yield and via chlorate monochlorated acetyl (CCA/ED (95% yield. All products were characterized by gel permeation chromatography (GPC, hydrogen-1 nuclear magnetic resonance (NMR 1H, Fourier transform infrared (FTIR, differential scanning calorimetry (DSC and thermogravimetric analysis (TGA. In addition, magnetite was prepared and modified to generate aldehyde groups which are also necessary for UFCC. This product was characterized by DSC, TGA, X-ray diffraction (XRD and magnetic force (MF techniques. Also, the magnetic composite PLA-PEG/magnetite was synthesized by UFCC. The calculated yield was equal to 80%. Furthermore, magnetic microspheres were prepared by the procedure of emulsion solvent-evaporation and characterized by scanning electron microscopy (SEM and magnetic induction hyperthermia (MIH. The main contribution of these results is to propose a new application for UFCC in the preparation of biomasked magnetic drug delivery systems able to improve the cancer treatment and even the welfare of the patients.
Xie, Zhengyou; Lu, Yong; Li, Jianguang
2017-09-01
Cutting force measurement is a significant requirement for monitoring and controlling the machining processes. Hence, various methods of measuring the cutting force have been proposed by many researchers. In this study, an innovative integrated smart tool holder system based on capacitive sensors is designed, constructed and tested, which is capable of measuring triaxial cutting force and a torque simultaneously in a wireless environment system. A standard commercial tool holder is modified to make itself be the force sensing element that has advantages of simple structure and easy machining. Deformable beams are created in the tool holder, and the tiny deformations of which used to calculate the four-component cutting force are detected by six high precision capacitive sensors. All the sensors and other electronics, like data acquisition and transmitting unit, and wireless power unit, are incorporated into the tool holder as a whole system. The device is intended to be used in a rotating spindle such as in milling and drilling processes. Eventually, the static and dynamic characteristics of the smart tool holder have been determined by a series of tests. Cutting tests have also been carried out and the results show it is stable and practical to measure the cutting force in milling and drilling processes.
A Four-Component Model of Sexual Orientation & Its Application to Psychotherapy.
Bowins, Brad
Distress related to sexual orientation is a common focus in psychotherapy. In some instances the distress is external in nature as with persecution, and in others it is internal as with self-acceptance issues. Complicating matters, sexual orientation is a very complex topic producing a great deal of confusion for both clients and therapists. The current paper provides a four component model-sexual orientation dimensions, activation of these dimensions, the role of erotic fantasy, and social construction of sexual orientation-that in combination provide a comprehensive perspective. Activation of dimensions is a novel contribution not proposed in any other model. With improved understanding of sexual orientation issues, and utilization of this knowledge to guide interventions, psychotherapists can improve outcomes with their clients. Also described is how dimensions of sexual orientation relate to transgender. In addition to improving psychotherapy outcomes, the fourcomponent model presented can help reduce discrimination and persecution, by demonstrating that the capacity for both homoerotic and heteroerotic behavior is universal.
Luciano, Rezzolla
2013-01-01
Relativistic hydrodynamics is a very successful theoretical framework to describe the dynamics of matter from scales as small as those of colliding elementary particles, up to the largest scales in the universe. This book provides an up-to-date, lively, and approachable introduction to the mathematical formalism, numerical techniques, and applications of relativistic hydrodynamics. The topic is typically covered either by very formal or by very phenomenological books, but is instead presented here in a form that will be appreciated both by students and researchers in the field. The topics covered in the book are the results of work carried out over the last 40 years, which can be found in rather technical research articles with dissimilar notations and styles. The book is not just a collection of scattered information, but a well-organized description of relativistic hydrodynamics, from the basic principles of statistical kinetic theory, down to the technical aspects of numerical methods devised for the solut...
[Prevention of serogroup B meningococcal disease using a four-component vaccine].
Gil, A; Barranco, D; Batalla, J; Bayas, J M; Campins, M; Gorrotxategi Gorrotxategi, P; Lluch, J; Martinón-Torres, F; Mellado, M J; Moreno-Pérez, D; Uriel, B; Vázquez, J A
2014-04-01
Meningococcal disease is an infection caused by Neisseria meningitidis, and those of serogroup B are currently the most predominant. It has been difficult to create effective vaccines for this serogroup in order to modify or reduce its morbidity. The aim of this study was to review existing data on the new vaccine 4CMenB and its potential contribution to the prevention of this infection. A panel of 12 experts (from Pediatrics, Public Health and Vaccinology) conducted a literature search and prioritized 74 publications. A review of the vaccine was then prepared, which was discussed in a meeting and subsequently validated by e-mail. 4CMenB vaccine, based on four components (NadA, fHbp, NHBA and OMVnz), was designed by reverse vaccinology. The Meningococcal Antigen Typing System (MATS) shows a potential of 70-80% coverage of the strains in Europe. Clinical trials show that the vaccine is safe and immunogenic in infants, children, adolescents, and adults, and induces an anamnestic response. The incidence of fever is similar to systemic vaccines administered alone, but higher when co-administered with them, although the fever pattern is predictable and self-limited. It is compatible with the Spanish routine vaccines, and can be administered simultaneously with the currently available hexavalent and pentavalent vaccines, as well as the pneumococcal conjugate vaccine. The 4CMenB vaccine is the only strategy currently available to prevent meningococcal disease caused by serogroup B. Copyright © 2013 Asociación Española de Pediatría. Published by Elsevier Espana. All rights reserved.
The four-component aureocin A70 as a promising agent for food biopreservation.
Carlin Fagundes, Patrícia; Miceli de Farias, Felipe; Cabral da Silva Santos, Olinda; Souza da Paz, Juliana Aparecida; Ceotto-Vigoder, Hilana; Sales Alviano, Daniela; Villela Romanos, Maria Teresa; de Freire Bastos, Maria do Carmo
2016-11-21
Aureocin A70 is the only four-component bacteriocin described to date. As it inhibits the growth of a wide range of Gram-positive bacteria, including Listeria monocytogenes strains isolated from food, its potential for improving food safety was investigated in this study. Aureocin A70 (10,240AU/mL) proved to be bactericidal, but not extensively lytic, against listerial strains. The antibacterial activity of aureocin A70 (16AU/mL) was then tested in UHT-treated skimmed milk inoculated with the food-associated L. monocytogenes L12 strain (4-log CFU/mL) during storage at 4°C for one week. Aureocin A70 caused a time-dependent reduction in the listerial viable cell counts (5.51-log units) up to 7days of incubation. Aureocin A70 was neither toxic to the Vero and the L-929 cell lines nor exhibited a hemolytic activity against sheep red blood cells. Aureocin A70 proved to be completely stable for one month at 25°C, 16weeks at 4°C and 20weeks at -20°C. Aureocin A70 exhibited a time-dependent susceptibility to simulated gastric juice and bile salts mimicking gastrointestinal conditions. The entrapment of aureocin A70 in an alginate/gelatin matrix revealed that this bacteriocin can be released from this matrix. Moreover, it remained adsorbed to and active on a low-density polyethylene plastic surface suggesting that aureocin A70 may be employed in bioactive packaging to control the growth of undesirable bacteria. Taken together these results suggest that aureocin A70 is a promising alternative to be used in food applications.
Theoretical Study of Relativistic Retardation Effects: the Abnormal Fine Structure of O Ⅱ
CHEN Shao-Hao; HAN Xiao-Ying; WANG Xiao-Lu; LI Ji
2007-01-01
Using multi-configuration Dirac-Fock and relativistic configuration interaction methods with high-order corrections, we report our precise calculation results of the fine-structure energy levels of the ground-state configuration of OⅡ(1s22s22p3). Our calculated fine-structure splittings of 2D3/2,5/2 and 2P1/2,3/2 are abnormal. We elucidate that the transverse (Breit) interaction, i.e. relativistic retardation effect, plays an important role for the abnormal fine-structure splittings. Our calculation results are in good agreement with experimental measurements.
Fransson, Thomas; Saue, Trond; Norman, Patrick
2016-05-10
The influences of group 12 (Zn, Cd, Hg) metal-substitution on the valence spectra and phosphorescence parameters of porphyrins (P) have been investigated in a relativistic setting. In order to obtain valence spectra, this study reports the first application of the damped linear response function, or complex polarization propagator, in the four-component density functional theory framework [as formulated in Villaume et al. J. Chem. Phys. 2010 , 133 , 064105 ]. It is shown that the steep increase in the density of states as due to the inclusion of spin-orbit coupling yields only minor changes in overall computational costs involved with the solution of the set of linear response equations. Comparing single-frequency to multifrequency spectral calculations, it is noted that the number of iterations in the iterative linear equation solver per frequency grid-point decreases monotonously from 30 to 0.74 as the number of frequency points goes from one to 19. The main heavy-atom effect on the UV/vis-absorption spectra is indirect and attributed to the change of point group symmetry due to metal-substitution, and it is noted that substitutions using heavier atoms yield small red-shifts of the intense Soret-band. Concerning phosphorescence parameters, the adoption of a four-component relativistic setting enables the calculation of such properties at a linear order of response theory, and any higher-order response functions do not need to be considered-a real, conventional, form of linear response theory has been used for the calculation of these parameters. For the substituted porphyrins, electronic coupling between the lowest triplet states is strong and results in theoretical estimates of lifetimes that are sensitive to the wave function and electron density parametrization. With this in mind, we report our best estimates of the phosphorescence lifetimes to be 460, 13.8, 11.2, and 0.00155 s for H2P, ZnP, CdP, and HgP, respectively, with the corresponding transition
Haba, Z
2009-02-01
We discuss relativistic diffusion in proper time in the approach of Schay (Ph.D. thesis, Princeton University, Princeton, NJ, 1961) and Dudley [Ark. Mat. 6, 241 (1965)]. We derive (Langevin) stochastic differential equations in various coordinates. We show that in some coordinates the stochastic differential equations become linear. We obtain momentum probability distribution in an explicit form. We discuss a relativistic particle diffusing in an external electromagnetic field. We solve the Langevin equations in the case of parallel electric and magnetic fields. We derive a kinetic equation for the evolution of the probability distribution. We discuss drag terms leading to an equilibrium distribution. The relativistic analog of the Ornstein-Uhlenbeck process is not unique. We show that if the drag comes from a diffusion approximation to the master equation then its form is strongly restricted. The drag leading to the Tsallis equilibrium distribution satisfies this restriction whereas the one of the Jüttner distribution does not. We show that any function of the relativistic energy can be the equilibrium distribution for a particle in a static electric field. A preliminary study of the time evolution with friction is presented. It is shown that the problem is equivalent to quantum mechanics of a particle moving on a hyperboloid with a potential determined by the drag. A relation to diffusions appearing in heavy ion collisions is briefly discussed.
Sahoo, Raghunath
2016-01-01
This lecture note covers Relativistic Kinematics, which is very useful for the beginners in the field of high-energy physics. A very practical approach has been taken, which answers "why and how" of the kinematics useful for students working in the related areas.
The grasp2K relativistic atomic structure package
Jönsson, P.; He, X.; Froese Fischer, C.; Grant, I. P.
2007-10-01
Xeon, 3.06 GHz Operating system: Suse LINUX RAM: 500 MB or more Classification: 2.1 Nature of problem: Prediction of atomic spectra—atomic energy levels, oscillator strengths, and radiative decay rates—using a 'fully relativistic' approach. Solution method: Atomic orbitals are assumed to be four-component spinor eigenstates of the angular momentum operator, j=l+s, and the parity operator Π=βπ. Configuration state functions (CSFs) are linear combinations of Slater determinants of atomic orbitals, and are simultaneous eigenfunctions of the atomic electronic angular momentum operator, J, and the atomic parity operator, P. Approximate atomic state functions (ASFs) are linear combinations of CSFs. A variational functional may be constructed by combining expressions for the energies of one or more ASFs. Average energy level (EAL) functionals are weighted sums of energies of all possible ASFs that may be constructed from a set of CSFs; the number of ASFs is then the same as the number of CSFs. Extended optimal level (EOL) functionals are weighted sums of energies of some subset of ASFs. Radial functions may be determined by numerically solving the multiconfiguration Dirac-Hartree-Fock (MCDHF) equations that define an extremum of the variational functional by the self-consistent-field (SCF) method. Lists of CSFs are generated from a set of reference CSFs and rules for deriving other CSFs from these. Expansion coefficients are obtained using sparse-matrix methods for solving the relativistic configuration interaction (CI) problem. Transition properties for pairs of ASFs are computed from matrix elements of multipole operators of the electromagnetic field. Biorthogonal transformation methods are employed so that all matrix elements between CSFs can be evaluated using Racah algebra. Restrictions: The maximum number of radial orbitals is limited to 120 by the packing algorithm used for 32-bit integers. The maximum size of a multiconfiguration (MC) calculation, as measured
Hakim, Rémi
1994-01-01
Il existe à l'heure actuelle un certain nombre de théories relativistes de la gravitation compatibles avec l'expérience et l'observation. Toutefois, la relativité générale d'Einstein fut historiquement la première à fournir des résultats théoriques corrects en accord précis avec les faits.
Jones, Bernard J. T.; Markovic, Dragoljub
1997-06-01
Preface; Prologue: Conference overview Bernard Carr; Part I. The Universe At Large and Very Large Redshifts: 2. The size and age of the Universe Gustav A. Tammann; 3. Active galaxies at large redshifts Malcolm S. Longair; 4. Observational cosmology with the cosmic microwave background George F. Smoot; 5. Future prospects in measuring the CMB power spectrum Philip M. Lubin; 6. Inflationary cosmology Michael S. Turner; 7. The signature of the Universe Bernard J. T. Jones; 8. Theory of large-scale structure Sergei F. Shandarin; 9. The origin of matter in the universe Lev A. Kofman; 10. New guises for cold-dark matter suspects Edward W. Kolb; Part II. Physics and Astrophysics Of Relativistic Compact Objects: 11. On the unification of gravitational and inertial forces Donald Lynden-Bell; 12. Internal structure of astrophysical black holes Werner Israel; 13. Black hole entropy: external facade and internal reality Valery Frolov; 14. Accretion disks around black holes Marek A. Abramowicz; 15. Black hole X-ray transients J. Craig Wheeler; 16. X-rays and gamma rays from active galactic nuclei Roland Svensson; 17. Gamma-ray bursts: a challenge to relativistic astrophysics Martin Rees; 18. Probing black holes and other exotic objects with gravitational waves Kip Thorne; Epilogue: the past and future of relativistic astrophysics Igor D. Novikov; I. D. Novikov's scientific papers and books.
Arcisauskaité, Vaida; Knecht, Stefan; Sauer, Stephan P. A.
2012-01-01
We investigate the magnitude and interplay of relativistic and electron correlation effects on the electric field gradient (EFG) at the position of Hg in linear and bent HgL2 (L=CH3, Cl, Br, I) and trigonal planar [HgCl3]- complexes using four-component relativistic Dirac-Coulomb (DC) and non...
Jalal Albadi
2014-10-01
Full Text Available An efficient one-pot synthesis of pyrano[2,3-c]pyrazoles via four-component reaction of phenyl hydrazine, ethyl acetoacetate, malononitrile and aromatic aldehydes, catalyzed by poly(4-vinylpyridine is reported. This method provides many advantages such as, atom-economy, easy work up, clean procedure, short reaction times and high yields of products.
Efficient Synthesis of the Functionalized Spiro[indoline-3,4＇-pyridine] via Four-component Reaction
孙晶; 吴群; 张藜娟; 颜朝国
2012-01-01
An efficient synthetic procedure for the functionalized spiro[indoline-3,4＇-pyridine] was developed via the four-component reactions of arylamines, acetylenedicarboxylates, isatins and malononitrile with triethylamine as the base catalyst. The advantages of this reaction are using common starting material, mild reaction conditions, broad scope of reactants and operational simplicity.
Polarizable Embedding Based on Multiconfigurational Methods: Current Developments and the Road Ahead
Hedegård, Erik D.; Jensen, H. J. A.; Kongsted, J.
2014-01-01
This perspective gives a brief overview of recent developments within the polarizable embedding (PE) method - a multiscale approach developed over the last years. In particular, we are concerned with a recent coupling of the PE method to a multiconfiguration self-consistent field (MCSCF) code....... Current applications and target systems are outlined, and methods to incorporate dynamical correlation are discussed. With respect to dynamical correlation, the focus is on perturbative treatments as well as a range-separated multiconfigurational hybrid between MCSCF and density functional theory (MC...
Multi-configuration time-dependent density-functional theory based on range separation
Fromager, E.; Knecht, S.; Jensen, Hans Jørgen Aagaard
2013-01-01
Multi-configuration range-separated density-functional theory is extended to the time-dependent regime. An exact variational formulation is derived. The approximation, which consists in combining a long-range Multi-Configuration- Self-Consistent Field (MCSCF) treatment with an adiabatic short...... in Be and the 11u+ state in the stretched H molecule are improved, although the latter is still significantly underestimated. Exploratory TD-MC-srDFT/GGA calculations for ferrocene yield in general excitation energies at least as good as TD-DFT using the Coulomb attenuated method based on the three-parameter Becke...
Szmytkowski, Radoslaw
2011-01-01
In the paper commented on [J. Chem. Phys. 130 (2009) 144102], Cheng et al. derived a formula for the magnetic dipole shielding constant $\\sigma$ for the Dirac one-electron atom in its ground state. That formula involves an infinite series of ratios of the Euler's gamma functions. We show that with some algebra the series may be expressed in terms of elementary functions. This leads to a simple closed-form expression for the shielding constant.
Multiconfiguration Pair-Density Functional Theory: A New Way To Treat Strongly Correlated Systems.
Gagliardi, Laura; Truhlar, Donald G; Li Manni, Giovanni; Carlson, Rebecca K; Hoyer, Chad E; Bao, Junwei Lucas
2017-01-17
The electronic energy of a system provides the Born-Oppenheimer potential energy for internuclear motion and thus determines molecular structure and spectra, bond energies, conformational energies, reaction barrier heights, and vibrational frequencies. The development of more efficient and more accurate ways to calculate the electronic energy of systems with inherently multiconfigurational electronic structure is essential for many applications, including transition metal and actinide chemistry, systems with partially broken bonds, many transition states, and most electronically excited states. Inherently multiconfigurational systems are called strongly correlated systems or multireference systems, where the latter name refers to the need for using more than one ("multiple") configuration state function to provide a good zero-order reference wave function. This Account describes multiconfiguration pair-density functional theory (MC-PDFT), which was developed as a way to combine the advantages of wave function theory (WFT) and density functional theory (DFT) to provide a better treatment of strongly correlated systems. First we review background material: the widely used Kohn-Sham DFT (which uses only a single Slater determinant as reference wave function), multiconfiguration WFT methods that treat inherently multiconfigurational systems based on an active space, and previous attempts to combine multiconfiguration WFT with DFT. Then we review the formulation of MC-PDFT. It is a generalization of Kohn-Sham DFT in that the electron kinetic energy and classical electrostatic energy are calculated from a reference wave function, while the rest of the energy is obtained from a density functional. However, there are two main differences with respent to Kohn-Sham DFT: (i) The reference wave function is multiconfigurational rather than being a single Slater determinant. (ii) The density functional is a function of the total density and the on-top pair density rather than
Relativistic and non-relativistic geodesic equations
Giambo' , R.; Mangiarotti, L.; Sardanashvily, G. [Camerino Univ., Camerino, MC (Italy). Dipt. di Matematica e Fisica
1999-07-01
It is shown that any dynamic equation on a configuration space of non-relativistic time-dependent mechanics is associated with connections on its tangent bundle. As a consequence, every non-relativistic dynamic equation can be seen as a geodesic equation with respect to a (non-linear) connection on this tangent bundle. Using this fact, the relationships between relativistic and non-relativistic equations of motion is studied.
Watanabe, Asami
2010-04-01
This study examines the relationship between four components of assertiveness ("open expression", "control of emotion", "consideration for others" and "self-direction") and interpersonal behaviors on friends, interpersonal stress events, social anxiety. A questionnaire which included scales to measure the four components of assertiveness, activities with friend, considerate behavior for friends, interpersonal stress events and social anxiety was completed by 177 high school students. The results showed that "self-direction" had curvilinear relations with considerate behavior for friends, interpersonal stress events. An excessively high score for "self-direction" was associated with fewer considerate behavior and interpersonal stress events. An optimum score for "self-direction" was associated with more considerate behavior and interpersonal stress events.
Anton Axelsson
2015-11-01
Full Text Available Ionic liquids (ILs are a convenient and inexpensive source of N-heterocyclic carbenes (NHCs. In this study, dialkyl imidazolium-based ILs are used as carbene precursors in a four-component synthesis of oxo triphenylhexanoates (OTHOs, where it was found that IL outperformed commonly used NHC precatalysts in terms of reaction efficiency. The reaction is highly stereoselective, delivering the anti-diastereomer (20:1 dr, and the OTHOs can be obtained in high-to-excellent yields. By virtue of the four-component reaction-setup, facile construction of the OTHO scaffold with a diverse set of functional groups (21 examples can be achieved. In the context of sustainability, the IL can be recovered and reused several times without affecting selectivity or yield. Moreover, most compounds can be isolated by precipitation and filtration, mitigating the use of solvent-demanding chromatography.
Sheng Sun
2015-01-01
Full Text Available For improving the accuracy of unsupervised classification based on scattering models, the four-component Yamaguchi model is introduced, which is an improved version of the best-known three-component Freeman model. Therewith, the four-component model is combined with the Wishart distance model. The new proposed algorithm of clustering is rolled out thereafter and the procedure of this new method is listed. In experiments, seven areas of various homogeneities are singled out from the Flevoland sample image in AIRSAR dataset. Qualitative and quantitative experiments are performed for a comparative study. It can be easily seen that the resolution and details are remarkably upgraded by the new proposed method. The accuracy of classification in homogeneous areas has also increased significantly by adopting the new iterative algorithm.
Cheng, Tzu-Yu; Yamaguchi, Yoshio; Chen, Kun-Shan; Lee, Jong-Sen; Cui, Yi
2013-01-01
In this paper, a multi-temporal analysis of polarimetric synthetic aperture radar (Pol-SAR) data over the sandbank and oyster farm area is presented. Specifically, a four-component scattering model, being able to identify single bounce, double bounce, volume, and helix scattering power contributions, has been employed to retrieve information. Decomposition results of a time series RADARSAT Pol-SAR images acquired over the western Taiwan coast indicate that the coastal tide level plays a key r...
A systematic sequence of relativistic approximations.
Dyall, Kenneth G
2002-06-01
An approach to the development of a systematic sequence of relativistic approximations is reviewed. The approach depends on the atomically localized nature of relativistic effects, and is based on the normalized elimination of the small component in the matrix modified Dirac equation. Errors in the approximations are assessed relative to four-component Dirac-Hartree-Fock calculations or other reference points. Projection onto the positive energy states of the isolated atoms provides an approximation in which the energy-dependent parts of the matrices can be evaluated in separate atomic calculations and implemented in terms of two sets of contraction coefficients. The errors in this approximation are extremely small, of the order of 0.001 pm in bond lengths and tens of microhartrees in absolute energies. From this approximation it is possible to partition the atoms into relativistic and nonrelativistic groups and to treat the latter with the standard operators of nonrelativistic quantum mechanics. This partitioning is shared with the relativistic effective core potential approximation. For atoms in the second period, errors in the approximation are of the order of a few hundredths of a picometer in bond lengths and less than 1 kJ mol(-1) in dissociation energies; for atoms in the third period, errors are a few tenths of a picometer and a few kilojoule/mole, respectively. A third approximation for scalar relativistic effects replaces the relativistic two-electron integrals with the nonrelativistic integrals evaluated with the atomic Foldy-Wouthuysen coefficients as contraction coefficients. It is similar to the Douglas-Kroll-Hess approximation, and is accurate to about 0.1 pm and a few tenths of a kilojoule/mole. The integrals in all the approximations are no more complicated than the integrals in the full relativistic methods, and their derivatives are correspondingly easy to formulate and evaluate.
Ruud, Kenneth; Helgaker, Trygve; Kobayashi, Rika
1994-01-01
Nuclear shielding calculations are presented for multiconfigurational self-consistent field wave functions using London atomic orbitals (gauge invariant atomic orbitals). Calculations of nuclear shieldings for eight molecules (H2O, H2S, CH4, N2, CO, HF, F2, and SO2) are presented and compared...
Relativistic magnetohydrodynamics
Hernandez, Juan; Kovtun, Pavel
2017-05-01
We present the equations of relativistic hydrodynamics coupled to dynamical electromagnetic fields, including the effects of polarization, electric fields, and the derivative expansion. We enumerate the transport coefficients at leading order in derivatives, including electrical conductivities, viscosities, and thermodynamic coefficients. We find the constraints on transport coefficients due to the positivity of entropy production, and derive the corresponding Kubo formulas. For the neutral state in a magnetic field, small fluctuations include Alfvén waves, magnetosonic waves, and the dissipative modes. For the state with a non-zero dynamical charge density in a magnetic field, plasma oscillations gap out all propagating modes, except for Alfvén-like waves with a quadratic dispersion relation. We relate the transport coefficients in the "conventional" magnetohydrodynamics (formulated using Maxwell's equations in matter) to those in the "dual" version of magnetohydrodynamics (formulated using the conserved magnetic flux).
Leardini, Fabrice
2013-01-01
This manuscript presents a problem on special relativity theory (SRT) which embodies an apparent paradox relying on the concept of simultaneity. The problem is represented in the framework of Greek epic poetry and structured in a didactic way. Owing to the characteristic properties of Lorenz transformations, three events which are simultaneous in a given inertial reference system, occur at different times in the other two reference frames. In contrast to the famous twin paradox, in the present case there are three, not two, different inertial observers. This feature provides a better framework to expose some of the main characteristics of SRT, in particular, the concept of velocity and the relativistic rule of addition of velocities.
Rampino, Sergio, E-mail: srampino@thch.unipg.it; Belpassi, Leonardo, E-mail: leonardo.belpassi@cnr.it [Istituto di Scienze e Tecnologie Molecolari, Consiglio Nazionale delle Ricerche c/o Dipartimento di Chimica, Biologia e Biotecnologie, Università degli Studi di Perugia, Via Elce di Sotto 8, 06123 Perugia (Italy); Storchi, Loriano [Dipartimento di Farmacia, Università degli Studi “G. D’Annunzio,” Via dei Vestini 31, 66100 Chieti (Italy)
2015-07-14
The chemistry of superheavy elements (Z ≥ 104) is actively investigated in atom-at-a-time experiments of volatility through adsorption on gold surfaces. In this context, common guidelines for interpretation based on group trends in the periodic table should be used cautiously, because relativistic effects play a central role and may cause predictions to fall short. In this paper, we present an all-electron four-component Dirac-Kohn-Sham comparative study of the interaction of gold with Cn (Z = 112), Fl (Z = 114), and Uuo (Z = 118) versus their lighter homologues of the 6th period, Hg, Pb, and Rn plus the noble gas Xe. Calculations were carried out for Au–E (E = Hg, Cn, Pb, Fl, Xe, Rn, Uuo), Au{sub 7}– and Au{sub 20}–E (E = Hg, Cn, Pb, Fl, Rn) complexes, where Au{sub 7} (planar) and Au{sub 20} (pyramidal) are experimentally determined clusters having structures of increasing complexity. Results are analysed both in terms of the energetics of the complexes and of the electron charge rearrangement accompanying their formation. In line with the available experimental data, Cn and more markedly Fl are found to be less reactive than their lighter homologues. On the contrary, Uuo is found to be more reactive than Rn and Xe. Cn forms the weakest bond with the gold atom, compared to Fl and Uuo. The reactivity of Fl decreases with increasing gold-fragment size more rapidly than that of Cn and, as a consequence, the order of the reactivity of these two elements is inverted upon reaching the Au{sub 20}-cluster adduct. Density difference maps between adducts and fragments reveal similarities in the behaviour of Cn and Xe, and in that of Uuo and the more reactive species Hg and Pb. These findings are given a quantitative ground via charge-displacement analysis.
Rampino, Sergio; Storchi, Loriano; Belpassi, Leonardo
2015-07-14
The chemistry of superheavy elements (Z ≥ 104) is actively investigated in atom-at-a-time experiments of volatility through adsorption on gold surfaces. In this context, common guidelines for interpretation based on group trends in the periodic table should be used cautiously, because relativistic effects play a central role and may cause predictions to fall short. In this paper, we present an all-electron four-component Dirac-Kohn-Sham comparative study of the interaction of gold with Cn (Z = 112), Fl (Z = 114), and Uuo (Z = 118) versus their lighter homologues of the 6th period, Hg, Pb, and Rn plus the noble gas Xe. Calculations were carried out for Au-E (E = Hg, Cn, Pb, Fl, Xe, Rn, Uuo), Au7- and Au20-E (E = Hg, Cn, Pb, Fl, Rn) complexes, where Au7 (planar) and Au20 (pyramidal) are experimentally determined clusters having structures of increasing complexity. Results are analysed both in terms of the energetics of the complexes and of the electron charge rearrangement accompanying their formation. In line with the available experimental data, Cn and more markedly Fl are found to be less reactive than their lighter homologues. On the contrary, Uuo is found to be more reactive than Rn and Xe. Cn forms the weakest bond with the gold atom, compared to Fl and Uuo. The reactivity of Fl decreases with increasing gold-fragment size more rapidly than that of Cn and, as a consequence, the order of the reactivity of these two elements is inverted upon reaching the Au20-cluster adduct. Density difference maps between adducts and fragments reveal similarities in the behaviour of Cn and Xe, and in that of Uuo and the more reactive species Hg and Pb. These findings are given a quantitative ground via charge-displacement analysis.
Relativistic internally contracted multireference electron correlation methods
Shiozaki, Toru
2015-01-01
We report internally contracted relativistic multireference configuration interaction (ic-MRCI), complete active space second-order perturbation (CASPT2), and strongly contracted n-electron valence state perturbation theory (NEVPT2) on the basis of the four-component Dirac Hamiltonian, enabling accurate simulations of relativistic, quasi-degenerate electronic structure of molecules containing transition-metal and heavy elements. Our derivation and implementation of ic-MRCI and CASPT2 are based on an automatic code generator that translates second-quantized ans\\"atze to tensor-based equations, and to efficient computer code. NEVPT2 is derived and implemented manually. The rovibrational transition energies and absorption spectra of HI and TlH are presented to demonstrate the accuracy of these methods.
A convenient four-component one-pot strategy toward the synthesis of pyrazolo[3,4-d]pyrimidines
Mingxing Liu
2015-11-01
Full Text Available An efficient one-pot synthesis of pyrazolo[3,4-d]pyrimidine derivatives by the four-component condensation of hydrazines, methylenemalononitriles, aldehydes and alcohols has been developed via two different reaction pathways. The structures of target products were characterized by IR spectroscopy, NMR (1H and 13C spectroscopy and HRMS (ESI spectrometry. The crystal structure of 4-ethoxy-6-(2-nitrophenyl-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine was determined by single crystal X-ray diffraction.
M Emamuddin; A A Mamun
2014-12-01
A theoretical investigation has been carried out on the growth rate of instability of the low-frequency electrostatic waves in a partially ionized four-component magnetodustyplasma in the presence of polarization force. Utilizing the method of linear mode analysis, the results of investigation have been presented. The findings of the investigation reveal that the polarization force, the external magnetic field and the dust temperature have a tendency to destabilize the system by increasing the growth rate of instability. On the other hand, the positive dust mass causes the instability growth rate to decrease, thereby stabilizing the system.
Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides.
Dognon, Jean-Pierre; Pyykkö, Pekka
2017-08-14
A Periodic System was proposed for the elements 1-172 by Pyykkö on the basis of atomic and ionic calculations. In it, the elements 121-138 were nominally assigned to a 5g row. We now perform molecular, relativistic four-component DFT calculations and find that the hexafluorides of the elements 125-129 indeed enjoy occupied 5g states. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.
Norman, Patrick; Bishop, David M.; Jensen, Hans Jørgen Aa;
2001-01-01
Computationally tractable expressions for the evaluation of the linear response function in the multiconfigurational self-consistent field approximation were derived and implemented. The finite lifetime of the electronically excited states was considered and the linear response function was shown...
Hoyer, Chad E; Ghosh, Soumen; Truhlar, Donald G; Gagliardi, Laura
2016-02-04
A correct description of electronically excited states is critical to the interpretation of visible-ultraviolet spectra, photochemical reactions, and excited-state charge-transfer processes in chemical systems. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory and a new kind of density functional called an on-top density functional. Here, we show that MC-PDFT with a first-generation on-top density functional performs as well as CASPT2 for an organic chemistry database including valence, Rydberg, and charge-transfer excitations. The results are very encouraging for practical applications.
Multiconfiguration hartree-fock theory for pseudorelativistic systems: The time-dependent case
Hajaiej, Hichem
2014-03-01
In [Setting and analysis of the multi-configuration time-dependent Hartree-Fock equations, Arch. Ration. Mech. Anal. 198 (2010) 273-330] the third author has studied in collaboration with Bardos, Catto and Mauser the nonrelativistic multiconfiguration time-dependent Hartree-Fock system of equations arising in the modeling of molecular dynamics. In this paper, we extend the previous work to the case of pseudorelativistic atoms. We show the existence and the uniqueness of global-in-time solution to the underlying system under technical assumptions on the energy of the initial data and the charge of the nucleus. Moreover, we prove that the result can be extended to the case of neutron stars when the number of electrons is less than a critical number N cr. © 2014 World Scientific Publishing Company.
Boström, Jonas; Delcey, Mickaël G; Aquilante, Francesco; Serrano-Andrés, Luis; Pedersen, Thomas Bondo; Lindh, Roland
2010-03-09
The accuracy of auxiliary basis sets derived from Cholesky decomposition of two-electron integrals is assessed for excitation energies calculated at the state-average complete active space self-consistent field (CASSCF) and multiconfigurational second order perturbation theory (CASPT2) levels of theory using segmented as well as generally contracted atomic orbital basis sets. Based on 196 valence excitations in 26 organic molecules and 72 Rydberg excitations in 3 organic molecules, the results show that Cholesky auxiliary basis sets can be used without compromising the accuracy of the multiconfigurational methods. Specifically, with a decomposition threshold of 10(-4) au, the mean error due to the Cholesky auxiliary basis set is 0.001 eV, or smaller, decreasing with increasing atomic orbital basis set quality.
Analytical model for relativistic corrections to the nuclear magnetic shielding constant in atoms
Romero, Rodolfo H. [Facultad de Ciencias Exactas, Universidad Nacional del Nordeste, Avenida Libertad 5500 (3400), Corrientes (Argentina)]. E-mail: rhromero@exa.unne.edu.ar; Gomez, Sergio S. [Facultad de Ciencias Exactas, Universidad Nacional del Nordeste, Avenida Libertad 5500 (3400), Corrientes (Argentina)
2006-04-24
We present a simple analytical model for calculating and rationalizing the main relativistic corrections to the nuclear magnetic shielding constant in atoms. It provides good estimates for those corrections and their trends, in reasonable agreement with accurate four-component calculations and perturbation methods. The origin of the effects in deep core atomic orbitals is manifestly shown.
D. Patil
2017-01-01
Full Text Available A convenient green chemistry method through one pot four component tandem synthesis of hexahydroquinoline via enaminone intermediate using dimedone, ammonium acetate, aryl aldehydes and malononitrile has been described in aqueous media without the use of any external catalyst. The excess of ammonium acetate used acts as a reagent as well as catalyst. The incorporation of water as solvent along with eradication of external catalyst renders the protocol to comply with the green chemistry aspects. Shorter reaction time, high atom economy, easy work up and purification of products by non-chromatographic method are the crucial features of this methodology. The crystal structure of hexahydroquinoline basically shaped by chromatographic free selective reaction was determined by single crystal X-ray diffraction analysis.
Yasuhiro Nakamura
2012-07-01
Full Text Available The present study introduces the four-component scattering power decomposition (4-CSPD algorithm with rotation of covariance matrix, and presents an experimental proof of the equivalence between the 4-CSPD algorithms based on rotation of covariance matrix and coherency matrix. From a theoretical point of view, the 4-CSPD algorithms with rotation of the two matrices are identical. Although it seems obvious, no experimental evidence has yet been presented. In this paper, using polarimetric synthetic aperture radar (POLSAR data acquired by Phased Array L-band SAR (PALSAR on board of Advanced Land Observing Satellite (ALOS, an experimental proof is presented to show that both algorithms indeed produce identical results.
Pseudo-Four Component Synthesis of Mono- and Di-Benzylated-1,2,3-Triazoles Derived from Aniline
Daniel Mendoza-Espinosa
2013-12-01
Full Text Available The pseudo-four component click synthesis of dibenzylated 1,2,3-triazoles derived from aniline is reported. The cycloaddition of sodium azide to N-(prop-2-ynyl-benzenamine (I in the presence of equimolar amounts of p-substituted benzyl derivatives, yields a mixture of mono- and dibenzylated 1,2,3-triazoles. When two equivalents of the benzyl derivative are added to the multicomponent reaction, the selective preparation of the dibenzylated compounds is achieved. The reactivity of the aniline N-H bond in monobenzylated 1,2,3-triazoles was tested by treatment with one equivalent of a p-substituted benzyl chloride at 40 °C, rendering the dibenzylated derivatives quantitatively.
Cattaneo, Carlo
2011-01-01
This title includes: Pham Mau Quam: Problemes mathematiques en hydrodynamique relativiste; A. Lichnerowicz: Ondes de choc, ondes infinitesimales et rayons en hydrodynamique et magnetohydrodynamique relativistes; A.H. Taub: Variational principles in general relativity; J. Ehlers: General relativistic kinetic theory of gases; K. Marathe: Abstract Minkowski spaces as fibre bundles; and, G. Boillat: Sur la propagation de la chaleur en relativite.
GRASP92: a package for large-scale relativistic atomic structure calculations
Parpia, F. A.; Froese Fischer, C.; Grant, I. P.
2006-12-01
Program summaryTitle of program: GRASP92 Catalogue identifier: ADCU_v1_1 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADCU_v1_1 Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland Licensing provisions: no Programming language used: Fortran Computer: IBM POWERstation 320H Operating system: IBM AIX 3.2.5+ RAM: 64M words No. of lines in distributed program, including test data, etc.: 65 224 No of bytes in distributed program, including test data, etc.: 409 198 Distribution format: tar.gz Catalogue identifier of previous version: ADCU_v1_0 Journal reference of previous version: Comput. Phys. Comm. 94 (1996) 249 Does the new version supersede the previous version?: Yes Nature of problem: Prediction of atomic spectra—atomic energy levels, oscillator strengths, and radiative decay rates—using a 'fully relativistic' approach. Solution method: Atomic orbitals are assumed to be four-component spinor eigenstates of the angular momentum operator, j=l+s, and the parity operator Π=βπ. Configuration state functions (CSFs) are linear combinations of Slater determinants of atomic orbitals, and are simultaneous eigenfunctions of the atomic electronic angular momentum operator, J, and the atomic parity operator, P. Lists of CSFs are either explicitly prescribed by the user or generated from a set of reference CSFs, a set of subshells, and rules for deriving other CSFs from these. Approximate atomic state functions (ASFs) are linear combinations of CSFs. A variational functional may be constructed by combining expressions for the energies of one or more ASFs. Average level (AL) functionals are weighted sums of energies of all possible ASFs that may be constructed from a set of CSFs; the number of ASFs is then the same as the number, n, of CSFs. Optimal level (OL) functionals are weighted sums of energies of some subset of ASFs; the GRASP92 package is optimized for this latter class of functionals. The composition of an ASF in terms
Relativistic radiative transfer in relativistic spherical flows
Fukue, Jun
2017-02-01
Relativistic radiative transfer in relativistic spherical flows is numerically examined under the fully special relativistic treatment. We first derive relativistic formal solutions for the relativistic radiative transfer equation in relativistic spherical flows. We then iteratively solve the relativistic radiative transfer equation, using an impact parameter method/tangent ray method, and obtain specific intensities in the inertial and comoving frames, as well as moment quantities, and the Eddington factor. We consider several cases; a scattering wind with a luminous central core, an isothermal wind without a core, a scattering accretion on to a luminous core, and an adiabatic accretion on to a dark core. In the typical wind case with a luminous core, the emergent intensity is enhanced at the center due to the Doppler boost, while it reduces at the outskirts due to the transverse Doppler effect. In contrast to the plane-parallel case, the behavior of the Eddington factor is rather complicated in each case, since the Eddington factor depends on the optical depth, the flow velocity, and other parameters.
Relativistic Remnants of Non-Relativistic Electrons
Kashiwa, Taro
2015-01-01
Electrons obeying the Dirac equation are investigated under the non-relativistic $c \\mapsto \\infty$ limit. General solutions are given by derivatives of the relativistic invariant functions whose forms are different in the time- and the space-like region, yielding the delta function of $(ct)^2 - x^2$. This light-cone singularity does survive to show that the charge and the current density of electrons travel with the speed of light in spite of their massiveness.
Relativistic quantum mechanics
Wachter, Armin
2010-01-01
Which problems do arise within relativistic enhancements of the Schrödinger theory, especially if one adheres to the usual one-particle interpretation, and to what extent can these problems be overcome? And what is the physical necessity of quantum field theories? In many books, answers to these fundamental questions are given highly insufficiently by treating the relativistic quantum mechanical one-particle concept very superficially and instead introducing field quantization as soon as possible. By contrast, this monograph emphasizes relativistic quantum mechanics in the narrow sense: it extensively discusses relativistic one-particle concepts and reveals their problems and limitations, therefore motivating the necessity of quantized fields in a physically comprehensible way. The first chapters contain a detailed presentation and comparison of the Klein-Gordon and Dirac theory, always in view of the non-relativistic theory. In the third chapter, we consider relativistic scattering processes and develop the...
Carlson, Rebecca K; Li Manni, Giovanni; Sonnenberger, Andrew L; Truhlar, Donald G; Gagliardi, Laura
2015-01-13
Kohn-Sham density functional theory, resting on the representation of the electronic density and kinetic energy by a single Slater determinant, has revolutionized chemistry, but for open-shell systems, the Kohn-Sham Slater determinant has the wrong symmetry properties as compared to an accurate wave function. We have recently proposed a theory, called multiconfiguration pair-density functional theory (MC-PDFT), in which the electronic kinetic energy and classical Coulomb energy are calculated from a multiconfiguration wave function with the correct symmetry properties, and the rest of the energy is calculated from a density functional, called the on-top density functional, that depends on the density and the on-top pair density calculated from this wave function. We also proposed a simple way to approximate the on-top density functional by translation of Kohn-Sham exchange-correlation functionals. The method is much less expensive than other post-SCF methods for calculating the dynamical correlation energy starting with a multiconfiguration self-consistent-field wave function as the reference wave function, and initial tests of the theory were quite encouraging. Here, we provide a broader test of the theory by applying it to bond energies of main-group molecules and transition metal complexes, barrier heights and reaction energies for diverse chemical reactions, proton affinities, and the water dimerization energy. Averaged over 56 data points, the mean unsigned error is 3.2 kcal/mol for MC-PDFT, as compared to 6.9 kcal/mol for Kohn-Sham theory with a comparable density functional. MC-PDFT is more accurate on average than complete active space second-order perturbation theory (CASPT2) for main-group small-molecule bond energies, alkyl bond dissociation energies, transition-metal-ligand bond energies, proton affinities, and the water dimerization energy.
ZHANG Peng-Fei; RUAN Tu-Nan
2001-01-01
A systematic theory on the appropriate spin operators for the relativistic states is developed. For a massive relativistic particle with arbitrary nonzero spin, the spin operator should be replaced with the relativistic one, which is called in this paper as moving spin. Further the concept of moving spin is discussed in the quantum field theory. A new is constructed. It is shown that, in virtue of the two operators, problems in quantum field concerned spin can be neatly settled.
Relativistic Guiding Center Equations
White, R. B. [PPPL; Gobbin, M. [Euratom-ENEA Association
2014-10-01
In toroidal fusion devices it is relatively easy that electrons achieve relativistic velocities, so to simulate runaway electrons and other high energy phenomena a nonrelativistic guiding center formalism is not sufficient. Relativistic guiding center equations including flute mode time dependent field perturbations are derived. The same variables as used in a previous nonrelativistic guiding center code are adopted, so that a straightforward modifications of those equations can produce a relativistic version.
Relativistic Linear Restoring Force
Clark, D.; Franklin, J.; Mann, N.
2012-01-01
We consider two different forms for a relativistic version of a linear restoring force. The pair comes from taking Hooke's law to be the force appearing on the right-hand side of the relativistic expressions: d"p"/d"t" or d"p"/d["tau"]. Either formulation recovers Hooke's law in the non-relativistic limit. In addition to these two forces, we…
Wang, Haobin; Thoss, Michael
2016-10-01
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method is implemented in the interaction picture to allow a more effective description of correlation effects. It is shown that the artificial correlation present in the original Schrödinger picture can be removed with an appropriate choice of the zeroth-order Hamiltonian. Thereby, operators in the interaction picture are obtained through time-dependent unitary transformations, which have negligible computational cost compared with other parts of the ML-MCTDH algorithm. The efficiency of the method is demonstrated by application to a model of vibrationally coupled charge transport in molecular junctions.
Hubert, Mickaël; Hedegård, Erik D.; Jensen, Hans Jørgen Aa
2016-01-01
inadequate when the molecule has near-degeneracies and/or low-lying double-excited states. To address these issues we have recently proposed multiconfiguration short-range density-functional theory-MC-srDFT-as a new tool in the toolbox. While initial applications for systems with multireference character......-srDFT for a selected benchmark set of electronic excitations of organic molecules, covering the most common types of organic chromophores. This investigation confirms the expectation that the MC-srDFT method is accurate for a broad range of excitations and comparable to accurate wave function methods such as CASPT2...
Rizzo, Antonio; Ruud, Kenneth; Helgaker, Trygve; Jaszuński, Michał
1998-08-01
The electric field gradient (EFG) at the nuclei, the generalized Sternheimer shielding constants and the EFG electric dipole polarizabilities are computed for eight small molecules employing multiconfigurational self-consistent field wave functions and the corresponding linear and quadratic response functions. The molecules studied are H2, N2, CO, HF, C2H2, HCl, HCN, and HNC, all of which are linear. For the hydrogen molecule, full configuration-interaction results for the properties are also reported. The dependence of the computed quantities on the basis set and the electron-correlation treatment is analyzed.
MALFLIET, R
1993-01-01
We discuss the present status of relativistic transport theory. Special emphasis is put on problems of topical interest: hadronic features, thermodynamical consistent approximations and spectral properties.
Han, Limei; Fu, Yan; Cole, Adam J; Liu, Jie; Wang, Jianxin
2012-06-01
It is difficult to develop injectable sustained delivery systems for herbal medicines because of their composition complexity. Encapsulating various compounds with different physiochemical properties and achieving their synchronized and sustained release seem too hard to realize. In this paper, an injectable nanoparticulate system based on an mPEG-PLGA-mPEG (PELGE) platform was prepared for co-encapsulation and sustained release of four active components (ginkgolides A, B, C and bilobalide) in Ginkgo biloba extract. Different carriers were screened by macrophage uptake experiment for their ability to be long-circulation. Drug loaded nanoparticles were prepared with 10% PEG(2000) modified PLGA by a co-precipitation method. The encapsulation efficiency of the total ginkgo terpenes (GT) in the optimal formulation was 78.84±2.06% with a loading dose of 11.90±0.31mg/150mg PELGE. The particles exhibited a spherical shape with a mean diameter of 123.3±44.0nm and zeta potential of -30.86±2.49mV. Sustained and synchronized release of the four components from PELGE nanoparticles was observed both in vitro and in vivo, which was mainly contributed to the long circulation of PEGylated nanoparticles and the slow degradation of PLGA. The half-life time of the four terpenoid compounds were also significantly improved by incorporation into PELGE nanoparticles. The results indicate that a PELGE nanoparticle is a promising carrier system for sustained and synchronized release of herbal medicines containing multiple components. Copyright © 2012 Elsevier B.V. All rights reserved.
Jagadeesan, Sakthimala; Mann, Petra; Schink, Christian W; Higgs, Penelope I
2009-08-07
Histidine-aspartate phosphorelays are employed by two-component signal transduction family proteins to mediate responses to specific signals or stimuli in microorganisms and plants. The RedCDEF proteins constitute a novel signaling system in which four two-component proteins comprising a histidine kinase, a histidine-kinase like protein, and two response regulators function together to regulate progression through the elaborate developmental program of Myxococcus xanthus. A combination of in vivo phenotypic analyses of in-frame deletions and non-functional point mutations in each gene as well as in vitro autophosphorylation and phosphotransfer analyses of recombinant proteins indicate that the RedC histidine kinase protein autophosphorylates and donates a phosphoryl group to the single domain response regulator, RedF, to repress progression through the developmental program. To relieve this developmental repression, RedC instead phosphorylates RedD, a dual receiver response regulator protein. Surprisingly, RedD transfers the phosphoryl group to the histidine kinase-like protein RedE, which itself appears to be incapable of autophosphorylation. Phosphorylation of RedE may render RedE accessible to RedF, where it removes the phosphoryl group from RedF-P, which is otherwise an unusually stable phosphoprotein. These analyses reveal a novel "four-component" signaling mechanism that has probably arisen to temporally coordinate signals controlling the developmental program in M. xanthus. The RedCDEF signaling system provides an important example of how the inherent plasticity and modularity of the basic two-component signaling domains comprise a highly adaptable framework well suited to expansion into complex signaling mechanisms.
Zhang Meng; Gou Bing-Cong
2005-01-01
Variational calculations are carried out with a multiconfiguration-interaction wavefunction on the 1s22p2p 1De and 1s22p3p 3pe states to obtain the energies including the mass polarization and relativistic corrections for the beryllium isoelectronic sequence (Z=4-10). The oscillator strengths, transition rates and wavelengths are also calculated. Our results are compared with other theoretical and experimental data in the literatures. The fine structure and hyperfine structure of 1s22p3p 3pe state are also explored.
Relativistic quantum mechanics; Mecanique quantique relativiste
Ollitrault, J.Y. [CEA Saclay, 91 - Gif-sur-Yvette (France). Service de Physique Theorique]|[Universite Pierre et Marie Curie, 75 - Paris (France)
1998-12-01
These notes form an introduction to relativistic quantum mechanics. The mathematical formalism has been reduced to the minimum in order to enable the reader to calculate elementary physical processes. The second quantification and the field theory are the logical followings of this course. The reader is expected to know analytical mechanics (Lagrangian and Hamiltonian), non-relativistic quantum mechanics and some basis of restricted relativity. The purpose of the first 3 chapters is to define the quantum mechanics framework for already known notions about rotation transformations, wave propagation and restricted theory of relativity. The next 3 chapters are devoted to the application of relativistic quantum mechanics to a particle with 0,1/5 and 1 spin value. The last chapter deals with the processes involving several particles, these processes require field theory framework to be thoroughly described. (A.C.) 2 refs.
Towards relativistic quantum geometry
Ridao, Luis Santiago [Instituto de Investigaciones Físicas de Mar del Plata (IFIMAR), Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Mar del Plata (Argentina); Bellini, Mauricio, E-mail: mbellini@mdp.edu.ar [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad Nacional de Mar del Plata, Funes 3350, C.P. 7600, Mar del Plata (Argentina); Instituto de Investigaciones Físicas de Mar del Plata (IFIMAR), Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET), Mar del Plata (Argentina)
2015-12-17
We obtain a gauge-invariant relativistic quantum geometry by using a Weylian-like manifold with a geometric scalar field which provides a gauge-invariant relativistic quantum theory in which the algebra of the Weylian-like field depends on observers. An example for a Reissner–Nordström black-hole is studied.
Hedegård, Erik Donovan, E-mail: erik.hedegard@phys.chem.ethz.ch [Laboratorium fur Physikalische Chemie, ETH Zürich, Vladimir Prelog Weg 2, CH-8093 Zürich (Switzerland); Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense (Denmark); Olsen, Jógvan Magnus Haugaard [Laboratory of Computational Chemistry and Biochemistry, Ecole Polytechnique Fédérale de Lausanne, CH-1015 Lausanne (Switzerland); Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense (Denmark); Knecht, Stefan [Laboratorium fur Physikalische Chemie, ETH Zürich, Vladimir Prelog Weg 2, CH-8093 Zürich (Switzerland); Kongsted, Jacob, E-mail: kongsted@sdu.dk; Jensen, Hans Jørgen Aagaard, E-mail: hjj@sdu.dk [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense (Denmark)
2015-03-21
We present here the coupling of a polarizable embedding (PE) model to the recently developed multiconfiguration short-range density functional theory method (MC-srDFT), which can treat multiconfigurational systems with a simultaneous account for dynamical and static correlation effects. PE-MC-srDFT is designed to combine efficient treatment of complicated electronic structures with inclusion of effects from the surrounding environment. The environmental effects encompass classical electrostatic interactions as well as polarization of both the quantum region and the environment. Using response theory, molecular properties such as excitation energies and oscillator strengths can be obtained. The PE-MC-srDFT method and the additional terms required for linear response have been implemented in a development version of DALTON. To benchmark the PE-MC-srDFT approach against the literature data, we have investigated the low-lying electronic excitations of acetone and uracil, both immersed in water solution. The PE-MC-srDFT results are consistent and accurate, both in terms of the calculated solvent shift and, unlike regular PE-MCSCF, also with respect to the individual absolute excitation energies. To demonstrate the capabilities of PE-MC-srDFT, we also investigated the retinylidene Schiff base chromophore embedded in the channelrhodopsin protein. While using a much more compact reference wave function in terms of active space, our PE-MC-srDFT approach yields excitation energies comparable in quality to CASSCF/CASPT2 benchmarks.
Booth, Corwin H.; Walter, Marc D.; Kazhdan, Daniel; Hu, Yung-Jin; Lukens, Wayne W.; Bauer, Eric D.; Maron, Laurent; Eisenstein, Odile; Andersen, Richard A.
2009-04-22
Partial ytterbium f-orbital occupancy (i.e., intermediate valence) and open-shell singlet formation are established for a variety of bipyridine and diazabutadiene adducts with decamethylytterbocene, (C5Me5)2Yb, abbreviated as Cp*2Yb. Data used to support this claim include ytterbium valence measurements using Yb LIII-edge X-ray absorption near-edge structure spectroscopy, magnetic susceptibility, and complete active space self-consistent field (CASSCF) multiconfigurational calculations, as well as structural measurements compared to density functional theory calculations. The CASSCF calculations indicate that the intermediate valence is the result of a multiconfigurational ground-state wave function that has both an open-shell singlet f13(?*)1, where pi* is the lowest unoccupied molecular orbital of the bipyridine or dpiazabutadiene ligands, and a closed-shell singlet f14 component. A number of other competing theories for the unusual magnetism in these materials are ruled out by the lack of temperature dependence of the measured intermediate valence. These results have implications for understanding chemical bonding not only in organolanthanide complexes but also for f-element chemistry in general, as well as understanding magnetic interactions in nanoparticles and devices.
Relativistic calculation of the SeH{sub 2} and TeH{sub 2} photoelectron spectra
Pernpointner, Markus [Theoretische Chemie, Universitaet Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)], E-mail: Markus.Pernpointner@pci.uni-heidelberg.de
2006-10-26
Photoelectron (PE) spectra provide detailed insight into the electronic structure of atoms, molecules and solids. Hereby electron correlation and relativistic effects influence the structure of the PE spectrum in a complicated way necessitating a consistent theoretical treatment. By embedding the one-particle propagator technique in a four-component framework the interplay between relativistic and correlation effects can be described correctly. In this article the Dirac-Hartree-Fock algebraic diagrammatic construction scheme (DHF-ADC) together with recent applications is reviewed and fully relativistic PE spectra of SeH{sub 2} and TeH{sub 2} in combination with basis set studies are presented.
Relativistic and Non-relativistic Equations of Motion
Mangiarotti, L
1998-01-01
It is shown that any second order dynamic equation on a configuration space $X$ of non-relativistic time-dependent mechanics can be seen as a geodesic equation with respect to some (non-linear) connection on the tangent bundle $TX\\to X$ of relativistic velocities. Using this fact, the relationship between relativistic and non-relativistic equations of motion is studied.
Electron correlation within the relativistic no-pair approximation
Almoukhalalati, Adel; Knecht, Stefan; Jensen, Hans Jørgen Aa.; Dyall, Kenneth G.; Saue, Trond
2016-08-01
This paper addresses the definition of correlation energy within 4-component relativistic atomic and molecular calculations. In the nonrelativistic domain the correlation energy is defined as the difference between the exact eigenvalue of the electronic Hamiltonian and the Hartree-Fock energy. In practice, what is reported is the basis set correlation energy, where the "exact" value is provided by a full Configuration Interaction (CI) calculation with some specified one-particle basis. The extension of this definition to the relativistic domain is not straightforward since the corresponding electronic Hamiltonian, the Dirac-Coulomb Hamiltonian, has no bound solutions. Present-day relativistic calculations are carried out within the no-pair approximation, where the Dirac-Coulomb Hamiltonian is embedded by projectors eliminating the troublesome negative-energy solutions. Hartree-Fock calculations are carried out with the implicit use of such projectors and only positive-energy orbitals are retained at the correlated level, meaning that the Hartree-Fock projectors are frozen at the correlated level. We argue that the projection operators should be optimized also at the correlated level and that this is possible by full Multiconfigurational Self-Consistent Field (MCSCF) calculations, that is, MCSCF calculations using a no-pair full CI expansion, but including orbital relaxation from the negative-energy orbitals. We show by variational perturbation theory that the MCSCF correlation energy is a pure MP2-like correlation expression, whereas the corresponding CI correlation energy contains an additional relaxation term. We explore numerically our theoretical analysis by carrying out variational and perturbative calculations on the two-electron rare gas atoms with specially tailored basis sets. In particular, we show that the correlation energy obtained by the suggested MCSCF procedure is smaller than the no-pair full CI correlation energy, in accordance with the underlying
Malček, Michal; Bučinský, Lukáš; Valko, Marián; Biskupič, Stanislav
2015-09-01
The presented paper is focused on the calculation of hyperfine coupling constants (HFCC) of Cu (2+) ion in water environment. To simulate the conditions of the electron paramagnetic resonance (EPR) experiment in aqueous phase, molecular dynamics using the density functional theory (DFT) was employed. In total three different functionals (BLYP, B3LYP, M06) were employed for studying their suitability in describing coordination of Cu (2+) by water molecules. The system of our interest was composed of one Cu (2+) cation surrounded by a selected number (between thirty and fifty) of water molecules. Besides the non-relativistic HFCCs (Fermi contact terms) of Cu (2+) also the four-component relativistic HFCC calculations are presented. The importance of the proper evaluation of HFCCs, the inclusion of spin-orbit term, for Cu (2+) containing systems (Neese, J. Chem. Phys. 118, 3939 2003; Almeida et al., Chem. Phys. 332, 176 2007) is confirmed at the relativistic four-component level of theory.
Pernpointner, M.; Visscher, L.; Jong, W.A. de; Broer, R
2000-01-01
The treatment of relativity and electron correlation on an equal footing is essential for the computation of systems containing heavy elements. Correlation treatments that are based on four-component Dirac–Hartree–Fock calculations presently provide the most accurate, albeit costly, way of taking
Zhao,Zhouxing; Li, Zheng
2011-01-01
An efficient route to one-pot four-component reactions of aroyl chlorides, potassium hexacyanoferrate(II), triphenylphosphine and carbon tetrahalides to synthesize 2-aryl-3,3-dichloroacrylonitriles and 2-aryl-3,3-dibromoacrylonitriles was described. This protocol has advantages of use of non-toxic cyanide source, high yield and simple work-up procedure.
Zhao, Zhouxing; Li, Zheng, E-mail: lizheng@nwnu.edu.c [Northwest Normal Univ., Lanzhou, Gansu (China). Key Lab. of Polymer Materials of Gansu Province
2011-07-01
An efficient route to one-pot four-component reactions of aroyl chlorides, potassium hexacyanoferrate(II), triphenylphosphine and carbon tetrahalides to synthesize 2-aryl-3,3-dichloroacrylonitriles and 2-aryl-3,3-dibromoacrylonitriles was described. This protocol has advantages of use of non-toxic cyanide source, high yield and simple work-up procedure. (author)
Charlotte F. Gers
2011-08-01
Full Text Available A novel one-pot four-component synthesis of pyrimidyl- and pyrazolylazulenes through the use of glyoxylation–decarbonylative alkynylation–cyclocondensation sequences starting from azulene or guaiazulene as substrates, gives rise to the formation of the target compounds in moderate to good yields.
Pernpointner, M.; Visscher, L.; Jong, W.A. de; Broer, R
2000-01-01
The treatment of relativity and electron correlation on an equal footing is essential for the computation of systems containing heavy elements. Correlation treatments that are based on four-component Dirac–Hartree–Fock calculations presently provide the most accurate, albeit costly, way of taking re
Relativistic spherical plasma waves
Bulanov, S. S.; Maksimchuk, A.; Schroeder, C. B.; Zhidkov, A. G.; Esarey, E.; Leemans, W. P.
2012-02-01
Tightly focused laser pulses that diverge or converge in underdense plasma can generate wake waves, having local structures that are spherical waves. Here we study theoretically and numerically relativistic spherical wake waves and their properties, including wave breaking.
Relativistic GLONASS and geodesy
Mazurova, E. M.; Kopeikin, S. M.; Karpik, A. P.
2016-12-01
GNSS technology is playing a major role in applications to civil, industrial and scientific areas. Nowadays, there are two fully functional GNSS: American GPS and Russian GLONASS. Their data processing algorithms have been historically based on the Newtonian theory of space and time with only a few relativistic effects taken into account as small corrections preventing the system from degradation on a fairly long time. Continuously growing accuracy of geodetic measurements and atomic clocks suggests reconsidering the overall approach to the GNSS theoretical model based on the Einstein theory of general relativity. This is essentially more challenging but fundamentally consistent theoretical approach to relativistic space geodesy. In this paper, we overview the basic principles of the relativistic GNSS model and explain the advantages of such a system for GLONASS and other positioning systems. Keywords: relativistic GLONASS, Einstein theory of general relativity.
Bliokh, Konstantin Y
2011-01-01
We consider the relativistic deformation of quantum waves and mechanical bodies carrying intrinsic angular momentum (AM). When observed in a moving reference frame, the centroid of the object undergoes an AM-dependent transverse shift. This is the relativistic analogue of the spin Hall effect, which occurs in free space without any external fields. Remarkably, the shifts of the geometric and energy centroids differ by a factor of 2, and both centroids are crucial for the correct Lorentz transformations of the AM tensor. We examine manifestations of the relativistic Hall effect in quantum vortices, mechanical flywheel, and discuss various fundamental aspects of the phenomenon. The perfect agreement of quantum and relativistic approaches allows applications at strikingly different scales: from elementary spinning particles, through classical light, to rotating black-holes.
$L^2$ Analysis of the Multi-Configuration Time-Dependent Hartree-Fock Equations
Mauser, Norbert J
2010-01-01
The multiconfiguration methods are widely used by quantum physicists and chemists for numerical approximation of the many electron Schr\\"odinger equation. Recently, first mathematically rigorous results were obtained on the time-dependent models, e.g. short-in-time well-posedness in the Sobolev space $H^2$ for bounded interactions (C. Lubichand O. Koch} with initial data in $H^2$, in the energy space for Coulomb interactions with initial data in the same space (Trabelsi, Bardos et al.}, as well as global well-posedness under a sufficient condition on the energy of the initial data (Bardos et al.). The present contribution extends the analysis by setting an $L^2$ theory for the MCTDHF for general interactions including the Coulomb case. This kind of results is also the theoretical foundation of ad-hoc methods used in numerical calculation when modification ("regularization") of the density matrix destroys the conservation of energy property, but keeps invariant the mass.
Exact Relativistic 'Antigravity' Propulsion
Felber, F S
2006-01-01
The Schwarzschild solution is used to find the exact relativistic motion of a payload in the gravitational field of a mass moving with constant velocity. At radial approach or recession speeds faster than 3^-1/2 times the speed of light, even a small mass gravitationally repels a payload. At relativistic speeds, a suitable mass can quickly propel a heavy payload from rest nearly to the speed of light with negligible stresses on the payload.
Exact Relativistic `Antigravity' Propulsion
Felber, Franklin S.
2006-01-01
The Schwarzschild solution is used to find the exact relativistic motion of a payload in the gravitational field of a mass moving with constant velocity. At radial approach or recession speeds faster than 3-1/2 times the speed of light, even a small mass gravitationally repels a payload. At relativistic speeds, a suitable mass can quickly propel a heavy payload from rest nearly to the speed of light with negligible stresses on the payload.
Relativistic quantum revivals.
Strange, P
2010-03-26
Quantum revivals are now a well-known phenomena within nonrelativistic quantum theory. In this Letter we display the effects of relativity on revivals and quantum carpets. It is generally believed that revivals do not occur within a relativistic regime. Here we show that while this is generally true, it is possible, in principle, to set up wave packets with specific mathematical properties that do exhibit exact revivals within a fully relativistic theory.
Samanta, Kousik [Department of Chemistry, Rice University, Houston, TX 77005 (United States); Yeager, Danny L. [Department of Chemistry, Texas A and M University, College Station, TX 77843 (United States)
2015-01-22
Resonances are temporarily bound states which lie in the continuum part of the Hamiltonian. If the electronic coordinates of the Hamiltonian are scaled (“dilated”) by a complex parameter, η = αe{sup iθ} (α, θ real), then its complex eigenvalues represent the scattering states (resonant and non-resonant) while the eigenvalues corresponding to the bound states and the ionization and the excitation thresholds remain real and unmodified. These make the study of these transient species amenable to the bound state methods. We developed a quadratically convergent multiconfigurational self-consistent field method (MCSCF), a well-established bound-state technique, combined with a dilated Hamiltonian to investigate resonances. This is made possible by the adoption of a second quantization algebra suitable for a set of “complex conjugate biorthonormal” spin orbitals and a modified step-length constraining algorithm to control the walk on the complex energy hypersurface while searching for the stationary point using a multidimensional Newton-Raphson scheme. We present our computational results for the {sup 2}PBe{sup −} shape resonances using two different computationally efficient methods that utilize complex scaled MCSCF (i.e., CMCSCF). These two methods are to straightforwardly use CMCSCF energy differences and to obtain energy differences using an approximation to the complex multiconfigurational electron propagator. It is found that, differing from previous computational studies by others, there are actually two {sup 2}PBe{sup −} shape resonances very close in energy. In addition, N{sub 2} resonances are examined using one of these methods.
Relativistic viscoelastic fluid mechanics.
Fukuma, Masafumi; Sakatani, Yuho
2011-08-01
A detailed study is carried out for the relativistic theory of viscoelasticity which was recently constructed on the basis of Onsager's linear nonequilibrium thermodynamics. After rederiving the theory using a local argument with the entropy current, we show that this theory universally reduces to the standard relativistic Navier-Stokes fluid mechanics in the long time limit. Since effects of elasticity are taken into account, the dynamics at short time scales is modified from that given by the Navier-Stokes equations, so that acausal problems intrinsic to relativistic Navier-Stokes fluids are significantly remedied. We in particular show that the wave equations for the propagation of disturbance around a hydrostatic equilibrium in Minkowski space-time become symmetric hyperbolic for some range of parameters, so that the model is free of acausality problems. This observation suggests that the relativistic viscoelastic model with such parameters can be regarded as a causal completion of relativistic Navier-Stokes fluid mechanics. By adjusting parameters to various values, this theory can treat a wide variety of materials including elastic materials, Maxwell materials, Kelvin-Voigt materials, and (a nonlinearly generalized version of) simplified Israel-Stewart fluids, and thus we expect the theory to be the most universal description of single-component relativistic continuum materials. We also show that the presence of strains and the corresponding change in temperature are naturally unified through the Tolman law in a generally covariant description of continuum mechanics.
Relativistic Dirac equation for particles with arbitrary half-integral spin
Guseinov, I I
2008-01-01
The sets of 2(2s+1)-component matrices through the four-component Dirac matrices are suggested, where s=3/2, 5/2,.... Using these matrices sets the Dirac relativistic equation for a description of arbitrary half-integral spin particles is constructed. The new Dirac equation of motion leads to an equation of continuity with a positive-definite probability density.
Relativistic Effects on X-ray Structure Factors
Batke, Kilian
2015-01-01
X-ray structure factors from four-component molecular wave functions have been calculated for the model systems $M$(C$_2$H$_2$) ($M$= Ni, Pd, Pt). Relativistic effects on the structure factors are investigated by the comparison to results obtained from a non-relativistic reference and in order to systematically analyse the effect of different quasi-relativistic approximations, we also included the DKH2 and the ZORA Hamiltonian in our study. We show, that the overall effects of relativity on the structure factors on average amount to 0.47, 0.80 and 1.27% for the three model systems under investigation, but that for individual reflections or reflection series the effects can be orders of magnitude larger. Employing the DKH2 or ZORA Hamiltonian takes these effects into account to a large extend, reducing the according differences by one order of magnitude. In order to determine the experimental significance of the results, the magnitude of the relativistic effects on the structure factors is compared to the acco...
Maggio, Lauren A; Cate, Olle Ten; Irby, David M; O'Brien, Bridget C
2015-11-01
Evidence-based medicine (EBM) skills, although taught in medical schools around the world, are not optimally practiced in clinical environments because of multiple barriers, including learners' difficulty transferring EBM skills learned in the classroom to clinical practice. This lack of skill transfer may be partially due to the design of EBM training. To facilitate the transfer of EBM skills from the classroom to clinical practice, the authors explore one instructional approach, called the Four Component Instructional Design (4C/ID) model, to guide the design of EBM training. On the basis of current cognitive psychology, including cognitive load theory, the premise of the 4C/ID model is that complex skills training, such as EBM training, should include four components: learning tasks, supportive information, procedural information, and part-task practice. The combination of these four components can inform the creation of complex skills training that is designed to avoid overloading learners' cognitive abilities; to facilitate the integration of the knowledge, skills, and attitudes needed to execute a complex task; and to increase the transfer of knowledge to new situations. The authors begin by introducing the 4C/ID model and describing the benefits of its four components to guide the design of EBM training. They include illustrative examples of educational practices that are consistent with each component and that can be applied to teaching EBM. They conclude by suggesting that medical educators consider adopting the 4C/ID model to design, modify, and/or implement EBM training in classroom and clinical settings.
Salami-Ranjbaran, Elmira; Khosropour, Ahmad R; Mohammadpoor-Baltork, Iraj; Moghadam, Majid; Tangestaninejad, Shahram; Mirkhani, Valiollah
2015-08-10
In this article, an original one-pot method is utilized to synthesize a variety of derivatives of naphtho[2,1-b]furan-2(1H)-one via a pseudo-four-component domino reaction of aryl aldehydes, acetic anhydride, hippuric acids, and 2-naphthols catalyzed by HSW@SPIONs. This reaction illustrates an array of attractive features including, with particular interest in this report, a convenient and unique process of creating and utilizing a powerful recyclable nanocatalyst.
Hamzeh Kiyani
2013-10-01
Full Text Available An efficient, green, and facile four-component reaction for the preparation of pyrano[2,3-c]pyrazole derivatives through the condensation reaction of aryl aldehydes, ethyl acetoacetate, malononitrile, and hydrazine hydrate or phenyl hydrazine in the presence of commercially available organocatalyst sodium benzoate under aqueous condition is reported. The products are produced with high yields and in shorter reaction times. It also is mild, safe, green and environmental friendly.
Seike, Hirofumi
2011-01-01
Three key reactions, an efficient Ugi four-component coupling, a regiospecific, base-mediated elimination reaction, and an intramolecular nitrone/alkene [3+2] cycloaddition, were used to achieve an effective synthesis of the tricyclic molecular framework of the immunosuppressant FR901483. The outcome of a control experiment supports the idea that an internal deprotonation by an alkoxide ion is the origin of the site selectivity observed in the base-induced elimination of hydroxy mesylate 17. PMID:22114366
Seike, Hirofumi; Sorensen, Erik J
2008-03-18
Three key reactions, an efficient Ugi four-component coupling, a regiospecific, base-mediated elimination reaction, and an intramolecular nitrone/alkene [3+2] cycloaddition, were used to achieve an effective synthesis of the tricyclic molecular framework of the immunosuppressant FR901483. The outcome of a control experiment supports the idea that an internal deprotonation by an alkoxide ion is the origin of the site selectivity observed in the base-induced elimination of hydroxy mesylate 17.
Liu, Xiaobin; Shi, Yinglong; Xing, Yongzhong; Lu, Feiping; Chen, Zhanbin
2017-02-01
We investigate the 2p photoelectron spectra of sodium atoms with the initial state 2{p}63p at a photon energy of 54 eV. The analysis is performed based on the multi-configuration Dirac–Fock method. Special attention is given to the influences of correlation and relativistic effects on the spectra structures. To explore the nature and importance of such influences, calculations were performed based on detailed analyses of the thresholds, relative intensities and corresponding data calculated in the nonrelativistic limit.
Relativistic theories of materials
Bressan, Aldo
1978-01-01
The theory of relativity was created in 1905 to solve a problem concerning electromagnetic fields. That solution was reached by means of profound changes in fundamental concepts and ideas that considerably affected the whole of physics. Moreover, when Einstein took gravitation into account, he was forced to develop radical changes also in our space-time concepts (1916). Relativistic works on heat, thermodynamics, and elasticity appeared as early as 1911. However, general theories having a thermodynamic basis, including heat conduction and constitutive equations, did not appear in general relativity until about 1955 for fluids and appeared only after 1960 for elastic or more general finitely deformed materials. These theories dealt with materials with memory, and in this connection some relativistic versions of the principle of material indifference were considered. Even more recently, relativistic theories incorporating finite deformations for polarizable and magnetizable materials and those in which couple s...
Relativistic Quantum Communication
Hosler, Dominic
2013-01-01
In this Ph.D. thesis, I investigate the communication abilities of non-inertial observers and the precision to which they can measure parametrized states. I introduce relativistic quantum field theory with field quantisation, and the definition and transformations of mode functions in Minkowski, Schwarzschild and Rindler spaces. I introduce information theory by discussing the nature of information, defining the entropic information measures, and highlighting the differences between classical and quantum information. I review the field of relativistic quantum information. We investigate the communication abilities of an inertial observer to a relativistic observer hovering above a Schwarzschild black hole, using the Rindler approximation. We compare both classical communication and quantum entanglement generation of the state merging protocol, for both the single and dual rail encodings. We find that while classical communication remains finite right up to the horizon, the quantum entanglement generation tend...
Relativistic quantum mechanics
Horwitz, Lawrence P
2015-01-01
This book describes a relativistic quantum theory developed by the author starting from the E.C.G. Stueckelberg approach proposed in the early 40s. In this framework a universal invariant evolution parameter (corresponding to the time originally postulated by Newton) is introduced to describe dynamical evolution. This theory is able to provide solutions for some of the fundamental problems encountered in early attempts to construct a relativistic quantum theory. A relativistically covariant construction is given for which particle spins and angular momenta can be combined through the usual rotation group Clebsch-Gordan coefficients. Solutions are defined for both the classical and quantum two body bound state and scattering problems. The recently developed quantum Lax-Phillips theory of semigroup evolution of resonant states is described. The experiment of Lindner and coworkers on interference in time is discussed showing how the property of coherence in time provides a simple understanding of the results. Th...
Handbook of relativistic quantum chemistry
Liu, Wenjian (ed.) [Peking Univ., Beijing (China). Center for Computational Science and Engineering
2017-03-01
This handbook focuses on the foundations of relativistic quantum mechanics and addresses a number of fundamental issues never covered before in a book. For instance: How can many-body theory be combined with quantum electrodynamics? How can quantum electrodynamics be interfaced with relativistic quantum chemistry? What is the most appropriate relativistic many-electron Hamiltonian? How can we achieve relativistic explicit correlation? How can we formulate relativistic properties? - just to name a few. Since relativistic quantum chemistry is an integral component of computational chemistry, this handbook also supplements the ''Handbook of Computational Chemistry''. Generally speaking, it aims to establish the 'big picture' of relativistic molecular quantum mechanics as the union of quantum electrodynamics and relativistic quantum chemistry. Accordingly, it provides an accessible introduction for readers new to the field, presents advanced methodologies for experts, and discusses possible future perspectives, helping readers understand when/how to apply/develop the methodologies.
Fransson, Thomas; Burdakova, Daria; Norman, Patrick
2016-05-21
X-ray absorption spectra of carbon, silicon, germanium, and sulfur compounds have been investigated by means of damped four-component density functional response theory. It is demonstrated that a reliable description of relativistic effects is obtained at both K- and L-edges. Notably, an excellent agreement with experimental results is obtained for L2,3-spectra-with spin-orbit effects well accounted for-also in cases when the experimental intensity ratio deviates from the statistical one of 2 : 1. The theoretical results are consistent with calculations using standard response theory as well as recently reported real-time propagation methods in time-dependent density functional theory, and the virtues of different approaches are discussed. As compared to silane and silicon tetrachloride, an anomalous error in the absolute energy is reported for the L2,3-spectrum of silicon tetrafluoride, amounting to an additional spectral shift of ∼1 eV. This anomaly is also observed for other exchange-correlation functionals, but it is seen neither at other silicon edges nor at the carbon K-edge of fluorine derivatives of ethene. Considering the series of molecules SiH4-XFX with X = 1, 2, 3, 4, a gradual divergence from interpolated experimental ionization potentials is observed at the level of Kohn-Sham density functional theory (DFT), and to a smaller extent with the use of Hartree-Fock. This anomalous error is thus attributed partly to difficulties in correctly emulating the electronic structure effects imposed by the very electronegative fluorines, and partly due to inconsistencies in the spurious electron self-repulsion in DFT. Substitution with one, or possibly two, fluorine atoms is estimated to yield small enough errors to allow for reliable interpretations and predictions of L2,3-spectra of more complex and extended silicon-based systems.
Billingsley, F. P., II; Krauss, M.
1974-01-01
Using the optimized valence configurations (OVC) multiconfiguration self-consistent-field (MCSCF) method, the dipole moment function for the ground state of CO in the vicinity of the equilibrium internuclear distance has been calculated. The OVC MCSCF calculation results are compared with existing Hartree-Fock and configuration interaction treatments of this molecule at single points and also the dipole moment function deduced from experimental infrared intensities. A general prescription for constructing OVC wavefunctions for diatomic molecules is also presented.
Fischer, C F
1977-11-01
This technical report contains a listing of a general program for multi-configuration Hartree--Fock (MCHF) calculations, including its documentation. Several examples are given showing how the program may be used. Typical output for several cases is also presented. This program has been tested over an extended period of time for a large variety of cases. This program is written for the IBM 360 or 370 in double-precision arithmetic.
Relativistic electronic dressing
Attaourti, Y
2002-01-01
We study the effects of the relativistic electronic dressing in laser-assisted electron-hydrogen atom elastic collisions. We begin by considering the case when no radiation is present. This is necessary in order to check the consistency of our calculations and we then carry out the calculations using the relativistic Dirac-Volkov states. It turns out that a simple formal analogy links the analytical expressions of the differential cross section without laser and the differential cross section in presence of a laser field.
Fabian, A C; Parker, M L
2014-01-01
Broad emission lines, particularly broad iron-K lines, are now commonly seen in the X-ray spectra of luminous AGN and Galactic black hole binaries. Sensitive NuSTAR spectra over the energy range of 3-78 keV and high frequency reverberation spectra now confirm that these are relativistic disc lines produced by coronal irradiation of the innermost accretion flow around rapidly spinning black holes. General relativistic effects are essential in explaining the observations. Recent results are briefly reviewed here.
Relativistic Rotating Vector Model
Lyutikov, Maxim
2016-01-01
The direction of polarization produced by a moving source rotates with the respect to the rest frame. We show that this effect, induced by pulsar rotation, leads to an important correction to polarization swings within the framework of rotating vector model (RVM); this effect has been missed by previous works. We construct relativistic RVM taking into account finite heights of the emission region that lead to aberration, time-of-travel effects and relativistic rotation of polarization. Polarizations swings at different frequencies can be used, within the assumption of the radius-to-frequency mapping, to infer emission radii and geometry of pulsars.
The special relativistic shock tube
Thompson, Kevin W.
1986-01-01
The shock-tube problem has served as a popular test for numerical hydrodynamics codes. The development of relativistic hydrodynamics codes has created a need for a similar test problem in relativistic hydrodynamics. The analytical solution to the special relativistic shock-tube problem is presented here. The relativistic shock-jump conditions and rarefaction solution which make up the shock tube are derived. The Newtonian limit of the calculations is given throughout.
Bruce, Adam L
2015-01-01
We show the traditional rocket problem, where the ejecta velocity is assumed constant, can be reduced to an integral quadrature of which the completely non-relativistic equation of Tsiolkovsky, as well as the fully relativistic equation derived by Ackeret, are limiting cases. By expanding this quadrature in series, it is shown explicitly how relativistic corrections to the mass ratio equation as the rocket transitions from the Newtonian to the relativistic regime can be represented as products of exponential functions of the rocket velocity, ejecta velocity, and the speed of light. We find that even low order correction products approximate the traditional relativistic equation to a high accuracy in flight regimes up to $0.5c$ while retaining a clear distinction between the non-relativistic base-case and relativistic corrections. We furthermore use the results developed to consider the case where the rocket is not moving relativistically but the ejecta stream is, and where the ejecta stream is massless.
Relativistic cosmology; Cosmologia Relativista
Bastero-Gil, M.
2015-07-01
Relativistic cosmology is nothing but the study of the evolution of our universe expanding from the General Theory of Relativity, which describes the gravitational interaction at any scale and given its character far-reaching is the force that dominate the evolution of the universe. (Author)
Relativistic impulse dynamics.
Swanson, Stanley M
2011-08-01
Classical electrodynamics has some annoying rough edges. The self-energy of charges is infinite without a cutoff. The calculation of relativistic trajectories is difficult because of retardation and an average radiation reaction term. By reconceptuallizing electrodynamics in terms of exchanges of impulses rather than describing it by forces and potentials, we eliminate these problems. A fully relativistic theory using photonlike null impulses is developed. Numerical calculations for a two-body, one-impulse-in-transit model are discussed. A simple relationship between center-of-mass scattering angle and angular momentum was found. It reproduces the Rutherford cross section at low velocities and agrees with the leading term of relativistic distinguishable-particle quantum cross sections (Møller, Mott) when the distance of closest approach is larger than the Compton wavelength of the particle. Magnetism emerges as a consequence of viewing retarded and advanced interactions from the vantage point of an instantaneous radius vector. Radiation reaction becomes the local conservation of energy-momentum between the radiating particle and the emitted impulse. A net action is defined that could be used in developing quantum dynamics without potentials. A reinterpretation of Newton's laws extends them to relativistic motion.
Antippa, Adel F.
2009-01-01
We solve the problem of the relativistic rocket by making use of the relation between Lorentzian and Galilean velocities, as well as the laws of superposition of successive collinear Lorentz boosts in the limit of infinitesimal boosts. The solution is conceptually simple, and technically straightforward, and provides an example of a powerful…
Relativistic length agony continued
Redžić D.V.
2014-01-01
Full Text Available We made an attempt to remedy recent confusing treatments of some basic relativistic concepts and results. Following the argument presented in an earlier paper (Redžić 2008b, we discussed the misconceptions that are recurrent points in the literature devoted to teaching relativity such as: there is no change in the object in Special Relativity, illusory character of relativistic length contraction, stresses and strains induced by Lorentz contraction, and related issues. We gave several examples of the traps of everyday language that lurk in Special Relativity. To remove a possible conceptual and terminological muddle, we made a distinction between the relativistic length reduction and relativistic FitzGerald-Lorentz contraction, corresponding to a passive and an active aspect of length contraction, respectively; we pointed out that both aspects have fundamental dynamical contents. As an illustration of our considerations, we discussed briefly the Dewan-Beran-Bell spaceship paradox and the ‘pole in a barn’ paradox. [Projekat Ministarstva nauke Republike Srbije, br. 171028
Hoyer, Chad E; Gagliardi, Laura; Truhlar, Donald G
2015-11-05
Time-dependent Kohn-Sham density functional theory (TD-KS-DFT) is useful for calculating electronic excitation spectra of large systems, but the low-energy spectra are often complicated by artificially lowered higher-energy states. This affects even the lowest energy excited states. Here, by calculating the lowest energy spin-conserving excited state for atoms from H to K and for formaldehyde, we show that this problem does not occur in multiconfiguration pair-density functional theory (MC-PDFT). We use the tPBE on-top density functional, which is a translation of the PBE exchange-correlation functional. We compare to a robust multireference method, namely, complete active space second-order perturbation theory (CASPT2), and to TD-KS-DFT with two popular exchange-correlation functionals, PBE and PBE0. We find for atoms that the mean unsigned error (MUE) of MC-PDFT with the tPBE functional improves from 0.42 to 0.40 eV with a double set of diffuse functions, whereas the MUEs for PBE and PBE0 drastically increase from 0.74 to 2.49 eV and from 0.45 to 1.47 eV, respectively.
Aquilante, Francesco; Autschbach, Jochen; Carlson, Rebecca K; Chibotaru, Liviu F; Delcey, Mickaël G; De Vico, Luca; Fdez Galván, Ignacio; Ferré, Nicolas; Frutos, Luis Manuel; Gagliardi, Laura; Garavelli, Marco; Giussani, Angelo; Hoyer, Chad E; Li Manni, Giovanni; Lischka, Hans; Ma, Dongxia; Malmqvist, Per Åke; Müller, Thomas; Nenov, Artur; Olivucci, Massimo; Pedersen, Thomas Bondo; Peng, Daoling; Plasser, Felix; Pritchard, Ben; Reiher, Markus; Rivalta, Ivan; Schapiro, Igor; Segarra-Martí, Javier; Stenrup, Michael; Truhlar, Donald G; Ungur, Liviu; Valentini, Alessio; Vancoillie, Steven; Veryazov, Valera; Vysotskiy, Victor P; Weingart, Oliver; Zapata, Felipe; Lindh, Roland
2016-02-15
In this report, we summarize and describe the recent unique updates and additions to the Molcas quantum chemistry program suite as contained in release version 8. These updates include natural and spin orbitals for studies of magnetic properties, local and linear scaling methods for the Douglas-Kroll-Hess transformation, the generalized active space concept in MCSCF methods, a combination of multiconfigurational wave functions with density functional theory in the MC-PDFT method, additional methods for computation of magnetic properties, methods for diabatization, analytical gradients of state average complete active space SCF in association with density fitting, methods for constrained fragment optimization, large-scale parallel multireference configuration interaction including analytic gradients via the interface to the Columbus package, and approximations of the CASPT2 method to be used for computations of large systems. In addition, the report includes the description of a computational machinery for nonlinear optical spectroscopy through an interface to the QM/MM package Cobramm. Further, a module to run molecular dynamics simulations is added, two surface hopping algorithms are included to enable nonadiabatic calculations, and the DQ method for diabatization is added. Finally, we report on the subject of improvements with respects to alternative file options and parallelization. © 2015 Wiley Periodicals, Inc.
Mariappan Balasekaran, Samundeeswari; Todorova, Tanya K; Pham, Chien Thang; Hartmann, Thomas; Abram, Ulrich; Sattelberger, Alfred P; Poineau, Frederic
2016-06-01
A simple method for the high-yield preparation of (NH4)2[Re2F8]·2H2O has been developed that involves the reaction of (n-Bu4N)2[Re2Cl8] with molten ammonium bifluoride (NH4HF2). Using this method, the new salt [NH4]2[Re2F8]·2H2O was prepared in ∼90% yield. The product was characterized in solution by ultraviolet-visible light (UV-vis) and (19)F nuclear magnetic resonance ((19)F NMR) spectroscopies and in the solid-state by elemental analysis, powder X-ray diffraction (XRD), and infrared (IR) spectroscopy. Multiconfigurational CASSCF/CASPT2 quantum chemical calculations were performed to investigate the molecular and electronic structure, as well as the electronic absorption spectrum of the [Re2F8](2-) anion. The metal-metal bonding in the Re2(6+) unit was quantified in terms of effective bond order (EBO) and compared to that of its [Re2Cl8](2-) and [Re2Br8](2-) analogues.
Hubert, Mickaël; Hedegård, Erik D; Jensen, Hans Jørgen Aa
2016-05-10
Computational methods that can accurately and effectively predict all types of electronic excitations for any molecular system are missing in the toolbox of the computational chemist. Although various Kohn-Sham density-functional methods (KS-DFT) fulfill this aim in some cases, they become inadequate when the molecule has near-degeneracies and/or low-lying double-excited states. To address these issues we have recently proposed multiconfiguration short-range density-functional theory-MC-srDFT-as a new tool in the toolbox. While initial applications for systems with multireference character and double excitations have been promising, it is nevertheless important that the accuracy of MC-srDFT is at least comparable to the best KS-DFT methods also for organic molecules that are typically of single-reference character. In this paper we therefore systematically investigate the performance of MC-srDFT for a selected benchmark set of electronic excitations of organic molecules, covering the most common types of organic chromophores. This investigation confirms the expectation that the MC-srDFT method is accurate for a broad range of excitations and comparable to accurate wave function methods such as CASPT2, NEVPT2, and the coupled cluster based CC2 and CC3.
A project based on multi-configuration Dirac-Fock calculations for plasma spectroscopy
Comet, M.; Pain, J.-C.; Gilleron, F.; Piron, R.
2017-09-01
We present a project dedicated to hot plasma spectroscopy based on a Multi-Configuration Dirac-Fock (MCDF) code, initially developed by J. Bruneau. The code is briefly described and the use of the transition state method for plasma spectroscopy is detailed. Then an opacity code for local-thermodynamic-equilibrium plasmas using MCDF data, named OPAMCDF, is presented. Transition arrays for which the number of lines is too large to be handled in a Detailed Line Accounting (DLA) calculation can be modeled within the Partially Resolved Transition Array method or using the Unresolved Transition Arrays formalism in jj-coupling. An improvement of the original Partially Resolved Transition Array method is presented which gives a better agreement with DLA computations. Comparisons with some absorption and emission experimental spectra are shown. Finally, the capability of the MCDF code to compute atomic data required for collisional-radiative modeling of plasma at non local thermodynamic equilibrium is illustrated. In addition to photoexcitation, this code can be used to calculate photoionization, electron impact excitation and ionization cross-sections as well as autoionization rates in the Distorted-Wave or Close Coupling approximations. Comparisons with cross-sections and rates available in the literature are discussed.
Fromager, Emmanuel; Toulouse, Julien; Jensen, Hans Jørgen Aagaard
2007-01-01
) adequately which, on the other hand, can be described in wave-function theory (WFT), for example, with a multiconfigurational self-consistent field (MCSCF) model. It is therefore of high interest to develop a hybrid model which combines the best of both WFT and DFT approaches. The merge of WFT and DFT can......In many cases, the dynamic correlation can be calculated quite accurately and at a fairly low computational cost in Kohn-Sham density-functional theory (KS-DFT), using current standard approximate functionals. However, in general, KS-DFT does not treat static correlation effects (near degeneracy...... be achieved by splitting the two-electron interaction into long-range and short-range parts. The long-range part is then treated by WFT and the short-range part by DFT. In this work the authors consider the so-called "erf" long-range interaction erf(µ r12) / r12, which is based on the standard error function...
Bauer, Eric D [Los Alamos National Laboratory; Booth, C H [LBNL; Walter, M D [LBNL; Kazhdan, D [LBNL; Hu, Y - J [LBNL; Lukens, Wayne [LBNL; Maron, Laurent [INSA TOULOUSE; Eisentein, Odile [UNIV MONTPELLIER 2; Anderson, Richard [LBNL
2009-01-01
Partial ytterbium f-orbital occupancy (i.e. intermediate valence) and open-shell singlet Draft 12/formation are established for a variety of bipyridine and diazabutadiene adducts to decamethylytterbocene, (C{sub 5}Me{sub 5}){sub 2}Yb or Cp*{sub 2}Yb. Data used to support this claim includes ytterbium valence measurements using Yb Lm-edge x-ray absorption near-edge structure (XANES) spectroscopy, magnetic susceptibility and Complete Active Space Self-Consistent Field (CASSCF) multi configurational calculations, as well as structural measurements compared to density-functional theory (DFT) calculations. The CASSCF calculations indicate that the intermediate valence is the result of a multiconfigurational ground state wave function that has both an open-shell singlet f{sup 13} and a closed-shell singlet f{sup 14} component. A number of other competing theories for the unusual magnetism in these materials are ruled out by the presence of intermediate valence and its lack of any significant temperature dependence. These results have implications for understanding chemical bonding not only in organolanthanide complexes, but also for organometallic chemistry in general, as well as understanding magnetic interactions in nanopartic1es and devices.
Hanni, Matti; Lantto, Perttu; Ilias, Miroslav
2007-01-01
Relativistic effects on the 129Xe nuclear magnetic resonance shielding and 131Xe nuclear quadrupole coupling (NQC) tensors are examined in the weakly bound Xe2 system at different levels of theory including the relativistic four-component Dirac-Hartree-Fock (DHF) method. The intermolecular...... interaction-induced binary chemical shift d, the anisotropy of the shielding tensor ?s, and the NQC constant along the internuclear axis ?ll are calculated as a function of the internuclear distance. DHF shielding calculations are carried out using gauge-including atomic orbitals. For comparison, the full...... leading-order one-electron Breit-Pauli perturbation theory (BPPT) is applied using a common gauge origin. Electron correlation effects are studied at the nonrelativistic (NR) coupled-cluster singles and doubles with perturbational triples [CCSD(T)] level of theory. The fully relativistic second...
Relativistic Hydrodynamics with Wavelets
DeBuhr, Jackson; Anderson, Matthew; Neilsen, David; Hirschmann, Eric W
2015-01-01
Methods to solve the relativistic hydrodynamic equations are a key computational kernel in a large number of astrophysics simulations and are crucial to understanding the electromagnetic signals that originate from the merger of astrophysical compact objects. Because of the many physical length scales present when simulating such mergers, these methods must be highly adaptive and capable of automatically resolving numerous localized features and instabilities that emerge throughout the computational domain across many temporal scales. While this has been historically accomplished with adaptive mesh refinement (AMR) based methods, alternatives based on wavelet bases and the wavelet transformation have recently achieved significant success in adaptive representation for advanced engineering applications. This work presents a new method for the integration of the relativistic hydrodynamic equations using iterated interpolating wavelets and introduces a highly adaptive implementation for multidimensional simulati...
Relativistic heavy ion reactions
Brink, D.M.
1989-08-01
The theory of quantum chromodynamics predicts that if nuclear matter is heated to a sufficiently high temperature then quarks might become deconfined and a quark-gluon plasma could be produced. One of the aims of relativistic heavy ion experiments is to search for this new state of matter. These lectures survey some of the new experimental results and give an introduction to the theories used to interpret them. 48 refs., 4 tabs., 11 figs.
Relativistic spherical plasma waves
Bulanov, S S; Schroeder, C B; Zhidkov, A G; Esarey, E; Leemans, W P
2011-01-01
Tightly focused laser pulses as they diverge or converge in underdense plasma can generate wake waves, having local structures that are spherical waves. Here we report on theoretical study of relativistic spherical wake waves and their properties, including wave breaking. These waves may be suitable as particle injectors or as flying mirrors that both reflect and focus radiation, enabling unique X-ray sources and nonlinear QED phenomena.
Relativistic Quantum Noninvasive Measurements
Bednorz, Adam
2014-01-01
Quantum weak, noninvasive measurements are defined in the framework of relativity. Invariance with respect to reference frame transformations of the results in different models is discussed. Surprisingly, the bare results of noninvasive measurements are invariant for certain class of models, but not the detection error. Consequently, any stationary quantum realism based on noninvasive measurements will break, at least spontaneously, relativistic invariance and correspondence principle at zero temperature.
Relativistic cosmological hydrodynamics
Hwang, J
1997-01-01
We investigate the relativistic cosmological hydrodynamic perturbations. We present the general large scale solutions of the perturbation variables valid for the general sign of three space curvature, the cosmological constant, and generally evolving background equation of state. The large scale evolution is characterized by a conserved gauge invariant quantity which is the same as a perturbed potential (or three-space curvature) in the comoving gauge.
Relativistic gravity gradiometry
Bini, Donato; Mashhoon, Bahram
2016-12-01
In general relativity, relativistic gravity gradiometry involves the measurement of the relativistic tidal matrix, which is theoretically obtained from the projection of the Riemann curvature tensor onto the orthonormal tetrad frame of an observer. The observer's 4-velocity vector defines its local temporal axis and its local spatial frame is defined by a set of three orthonormal nonrotating gyro directions. The general tidal matrix for the timelike geodesics of Kerr spacetime has been calculated by Marck [Proc. R. Soc. A 385, 431 (1983)]. We are interested in the measured components of the curvature tensor along the inclined "circular" geodesic orbit of a test mass about a slowly rotating astronomical object of mass M and angular momentum J . Therefore, we specialize Marck's results to such a "circular" orbit that is tilted with respect to the equatorial plane of the Kerr source. To linear order in J , we recover the gravitomagnetic beating phenomenon [B. Mashhoon and D. S. Theiss, Phys. Rev. Lett. 49, 1542 (1982)], where the beat frequency is the frequency of geodetic precession. The beat effect shows up as a special long-period gravitomagnetic part of the relativistic tidal matrix; moreover, the effect's short-term manifestations are contained in certain post-Newtonian secular terms. The physical interpretation of this effect is briefly discussed.
Gravitationally confined relativistic neutrinos
Vayenas, C. G.; Fokas, A. S.; Grigoriou, D.
2017-09-01
Combining special relativity, the equivalence principle, and Newton’s universal gravitational law with gravitational rather than rest masses, one finds that gravitational interactions between relativistic neutrinos with kinetic energies above 50 MeV are very strong and can lead to the formation of gravitationally confined composite structures with the mass and other properties of hadrons. One may model such structures by considering three neutrinos moving symmetrically on a circular orbit under the influence of their gravitational attraction, and by assuming quantization of their angular momentum, as in the Bohr model of the H atom. The model contains no adjustable parameters and its solution, using a neutrino rest mass of 0.05 eV/c2, leads to composite state radii close to 1 fm and composite state masses close to 1 GeV/c2. Similar models of relativistic rotating electron - neutrino pairs give a mass of 81 GeV/c2, close to that of W bosons. This novel mechanism of generating mass suggests that the Higgs mass generation mechanism can be modeled as a latent gravitational field which gets activated by relativistic neutrinos.
Relativistic Radiation Mediated Shocks
Budnik, Ran; Sagiv, Amir; Waxman, Eli
2010-01-01
The structure of relativistic radiation mediated shocks (RRMS) propagating into a cold electron-proton plasma is calculated and analyzed. A qualitative discussion of the physics of relativistic and non relativistic shocks, including order of magnitude estimates for the relevant temperature and length scales, is presented. Detailed numerical solutions are derived for shock Lorentz factors $\\Gamma_u$ in the range $6\\le\\Gamma_u\\le30$, using a novel iteration technique solving the hydrodynamics and radiation transport equations (the protons, electrons and positrons are argued to be coupled by collective plasma processes and are treated as a fluid). The shock transition (deceleration) region, where the Lorentz factor $ \\Gamma $ drops from $ \\Gamma_u $ to $ \\sim 1 $, is characterized by high plasma temperatures $ T\\sim \\Gamma m_ec^2 $ and highly anisotropic radiation, with characteristic shock-frame energy of upstream and downstream going photons of a few~$\\times\\, m_ec^2$ and $\\sim \\Gamma^2 m_ec^2$, respectively.P...
Parker, Edward
2017-08-01
A nonrelativistic particle released from rest at the edge of a ball of uniform charge density or mass density oscillates with simple harmonic motion. We consider the relativistic generalizations of these situations where the particle can attain speeds arbitrarily close to the speed of light; generalizing the electrostatic and gravitational cases requires special and general relativity, respectively. We find exact closed-form relations between the position, proper time, and coordinate time in both cases, and find that they are no longer harmonic, with oscillation periods that depend on the amplitude. In the highly relativistic limit of both cases, the particle spends almost all of its proper time near the turning points, but almost all of the coordinate time moving through the bulk of the ball. Buchdahl's theorem imposes nontrivial constraints on the general-relativistic case, as a ball of given density can only attain a finite maximum radius before collapsing into a black hole. This article is intended to be pedagogical, and should be accessible to those who have taken an undergraduate course in general relativity.
Mariappan Balasekaran, Samundeeswari; Todorova, Tanya K.; Pham, Chien Thang; Hartmann, Thomas; Abram, Ulrich; Sattelberger, Alfred P.; Poineau, Frederic
2016-06-06
A simple method for the high-yield preparation of (NH_{4})_{2}[Re_{2}F_{8}]· 2H_{2}O has been developed that involves the reaction of (n-Bu_{4}N)2[Re_{2}Cl_{8}] with molten ammonium bifluoride (NH_{4}HF_{2}). Using this method, the new salt [NH_{4}]_{2}[Re_{2}F_{8}]·2H_{2}O was prepared in ~90% yield. The product was characterized in solution by ultraviolet-visible light (UV-vis) and ^{19}F nuclear magnetic resonance (19F NMR) spectroscopies and in the solid-state by elemental analysis, powder X-ray diffraction (XRD), and infrared (IR) spectroscopy. Multiconfigurational CASSCF/CASPT2 quantum chemical calculations were performed to investigate the molecular and electronic structure, as well as the electronic absorption spectrum of the [Re_{2}F_{8}] ^{2-} anion. The metal-metal bonding in the Re_{2} ^{6+} unit was quantified in terms of effective bond order (EBO) and compared to that of its [Re_{2}Cl_{8}] ^{2-} and [Re_{2}Br_{8}] ^{2-} analogues.
Point form relativistic quantum mechanics and relativistic SU(6)
Klink, W. H.
1993-01-01
The point form is used as a framework for formulating a relativistic quantum mechanics, with the mass operator carrying the interactions of underlying constituents. A symplectic Lie algebra of mass operators is introduced from which a relativistic harmonic oscillator mass operator is formed. Mass splittings within the degenerate harmonic oscillator levels arise from relativistically invariant spin-spin, spin-orbit, and tensor mass operators. Internal flavor (and color) symmetries are introduced which make it possible to formulate a relativistic SU(6) model of baryons (and mesons). Careful attention is paid to the permutation symmetry properties of the hadronic wave functions, which are written as polynomials in Bargmann spaces.
Relativistic magnetohydrodynamics in one dimension.
Lyutikov, Maxim; Hadden, Samuel
2012-02-01
We derive a number of solutions for one-dimensional dynamics of relativistic magnetized plasma that can be used as benchmark estimates in relativistic hydrodynamic and magnetohydrodynamic numerical codes. First, we analyze the properties of simple waves of fast modes propagating orthogonally to the magnetic field in relativistically hot plasma. The magnetic and kinetic pressures obey different equations of state, so that the system behaves as a mixture of gases with different polytropic indices. We find the self-similar solutions for the expansion of hot strongly magnetized plasma into vacuum. Second, we derive linear hodograph and Darboux equations for the relativistic Khalatnikov potential, which describe arbitrary one-dimensional isentropic relativistic motion of cold magnetized plasma and find their general and particular solutions. The obtained hodograph and Darboux equations are very powerful: A system of highly nonlinear, relativistic, time-dependent equations describing arbitrary (not necessarily self-similar) dynamics of highly magnetized plasma reduces to a single linear differential equation.
S. Borazjani
2014-01-01
Full Text Available Analytical solutions for one-dimensional two-phase multicomponent flows in porous media describe processes of enhanced oil recovery, environmental flows of waste disposal, and contaminant propagation in subterranean reservoirs and water management in aquifers. We derive the exact solution for 3×3 hyperbolic system of conservation laws that corresponds to two-phase four-component flow in porous media where sorption of the third component depends on its own concentration in water and also on the fourth component concentration. Using the potential function as an independent variable instead of time allows splitting the initial system to 2×2 system for concentrations and one scalar hyperbolic equation for phase saturation, which allows for full integration of non-self-similar problem with wave interactions.
Ruud, Kenneth; Bast, Radovan; Gao, Bin; Thorvaldsen, Andreas J.; Ekström, Ulf; Visscher, Lucas
2012-12-01
We outline a new approach for the calculation of higher-order molecular properties for self-consistent field (SCF) wave functions (or Kohn-Sham density-functional theory) expressed in time- and perturbation-dependent basis sets. The approach is based on an atomic-orbital-based, open-ended quasienergy derivative formalism, and is applicable for use in linear scaling SCF calculations. In order to enable the calculation of any response property, we have also developed open- ended one- and two-electron integral derivative programs, as well as a program that can calculate derivatives of exchange- correlation functionals to any order using automatic differentiation. These modules have been interfaced to both the Dalton and DIRAC programs. This allows us to calculate molecular properties at the one-, two- and four-component levels of theory using a common theoretical framework and code.
Recurrence relation for relativistic atomic matrix elements
Martínez y Romero, R P; Salas-Brito, A L
2000-01-01
Recurrence formulae for arbitrary hydrogenic radial matrix elements are obtained in the Dirac form of relativistic quantum mechanics. Our approach is inspired on the relativistic extension of the second hypervirial method that has been succesfully employed to deduce an analogous relationship in non relativistic quantum mechanics. We obtain first the relativistic extension of the second hypervirial and then the relativistic recurrence relation. Furthermore, we use such relation to deduce relativistic versions of the Pasternack-Sternheimer rule and of the virial theorem.
Relativistic equation-of-motion coupled-cluster method using open-shell reference wavefunction
Pathak, Himadri; Nayak, Malaya K; Vaval, Nayana; Pal, Sourav
2016-01-01
The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximation. The one-body and two-body matrix elements required for the correlation calculation are generated using Dirac-Coulomb Hamiltonian. As a first attempt, the implemented method is employed to calculate a few of the low-lying ionized states of heavy atomic (Ag, Cs, Au, Fr, Lr) and valence ionization potential of molecular (HgH, PbF) systems, where the effect of relativity does really matter to obtain highly accurate results. Not only the relativistic effect, but also the effect of electron correlation is crucial in these heavy atomic and molecular systems. To justify the fact, we have taken two further approximations in the four-component relativistic equation-of-motion framework to quantify how the effect of electron correlation plays a role in the calculated values at different level of the approxi...
Relativistic twins or sextuplets?
Sheldon, E S
2003-01-01
A recent study of the relativistic twin 'paradox' by Soni in this journal affirmed that 'A simple solution of the twin paradox also shows anomalous behaviour of rigidly connected distant clocks' but entailed a pedagogic hurdle which the present treatment aims to surmount. Two scenarios are presented: the first 'flight-plan' is akin to that depicted by Soni, with constant-velocity segments, while the second portrays an alternative mission undertaken with sustained acceleration and deceleration, illustrated quantitatively for a two-way spacecraft flight from Earth to Polaris (465.9 light years distant) and back.
Numerical Relativistic Quantum Optics
2013-11-08
µm and a = 1. The condition for an atomic spectrum to be non-relativistic is Z α−1 ≈ 137, as follows from elementary Dirac theory. One concludes that...peculiar result that B0 = 1 TG is a weak field. At present, such fields are observed only in connection with astrophysical phenomena [14]. The highest...pulsars. The Astrophysical Journal, 541:367–373, Sep 2000. [15] M. Tatarakis, I. Watts, F.N. Beg, E.L. Clark, A.E. Dangor, A. Gopal, M.G. Haines, P.A
Relativistic quantum information
Mann, R. B.; Ralph, T. C.
2012-11-01
Over the past few years, a new field of high research intensity has emerged that blends together concepts from gravitational physics and quantum computing. Known as relativistic quantum information, or RQI, the field aims to understand the relationship between special and general relativity and quantum information. Since the original discoveries of Hawking radiation and the Unruh effect, it has been known that incorporating the concepts of quantum theory into relativistic settings can produce new and surprising effects. However it is only in recent years that it has become appreciated that the basic concepts involved in quantum information science undergo significant revision in relativistic settings, and that new phenomena arise when quantum entanglement is combined with relativity. A number of examples illustrate that point. Quantum teleportation fidelity is affected between observers in uniform relative acceleration. Entanglement is an observer-dependent property that is degraded from the perspective of accelerated observers moving in flat spacetime. Entanglement can also be extracted from the vacuum of relativistic quantum field theories, and used to distinguish peculiar motion from cosmological expansion. The new quantum information-theoretic framework of quantum channels in terms of completely positive maps and operator algebras now provides powerful tools for studying matters of causality and information flow in quantum field theory in curved spacetimes. This focus issue provides a sample of the state of the art in research in RQI. Some of the articles in this issue review the subject while others provide interesting new results that will stimulate further research. What makes the subject all the more exciting is that it is beginning to enter the stage at which actual experiments can be contemplated, and some of the articles appearing in this issue discuss some of these exciting new developments. The subject of RQI pulls together concepts and ideas from
Corinaldesi, Ernesto
1963-01-01
Geared toward advanced undergraduate and graduate students of physics, this text provides readers with a background in relativistic wave mechanics and prepares them for the study of field theory. The treatment originated as a series of lectures from a course on advanced quantum mechanics that has been further amplified by student contributions.An introductory section related to particles and wave functions precedes the three-part treatment. An examination of particles of spin zero follows, addressing wave equation, Lagrangian formalism, physical quantities as mean values, translation and rotat
Rössler, O E; Matsuno, K
1998-04-01
The two mindsets of absolutism and relativism are juxtaposed, and the relational or relativist stance is vindicated. The only 'absolute' entity which undeniably exists, consciousness has the reality of a dream. The escape hatch from this prison is relational, as Descartes and Levinas found out: Unfalsified relational consistency implies exteriority. Exteriority implies infinite power which in turn makes compassion inevitable. Aside from ethics as a royal way to enlightenment, a new technology called 'deep technology' may be accessible. It changes the whole world in a demonstrable fashion by manipulation of the micro frame--that is, the observer-world interface.
Exotic Non-relativistic String
Casalbuoni, Roberto; Longhi, Giorgio
2007-01-01
We construct a classical non-relativistic string model in 3+1 dimensions. The model contains a spurion tensor field that is responsible for the non-commutative structure of the model. Under double dimensional reduction the model reduces to the exotic non-relativistic particle in 2+1 dimensions.
'Antigravity' Propulsion and Relativistic Hyperdrive
Felber, F S
2006-01-01
Exact payload trajectories in the strong gravitational fields of compact masses moving with constant relativistic velocities are calculated. The strong field of a suitable driver mass at relativistic speeds can quickly propel a heavy payload from rest to a speed significantly faster than the driver, a condition called hyperdrive. Hyperdrive thresholds and maxima are calculated as functions of driver mass and velocity.
A Simple Relativistic Bohr Atom
Terzis, Andreas F.
2008-01-01
A simple concise relativistic modification of the standard Bohr model for hydrogen-like atoms with circular orbits is presented. As the derivation requires basic knowledge of classical and relativistic mechanics, it can be taught in standard courses in modern physics and introductory quantum mechanics. In addition, it can be shown in a class that…
A Simple Relativistic Bohr Atom
Terzis, Andreas F.
2008-01-01
A simple concise relativistic modification of the standard Bohr model for hydrogen-like atoms with circular orbits is presented. As the derivation requires basic knowledge of classical and relativistic mechanics, it can be taught in standard courses in modern physics and introductory quantum mechanics. In addition, it can be shown in a class that…
Komissarov, S S; Lyutikov, M
2015-01-01
In this paper we describe a simple numerical approach which allows to study the structure of steady-state axisymmetric relativistic jets using one-dimensional time-dependent simulations. It is based on the fact that for narrow jets with v~c the steady-state equations of relativistic magnetohydrodynamics can be accurately approximated by the one-dimensional time-dependent equations after the substitution z=ct. Since only the time-dependent codes are now publicly available this is a valuable and efficient alternative to the development of a high-specialized code for the time-independent equations. The approach is also much cheaper and more robust compared to the relaxation method. We tested this technique against numerical and analytical solutions found in literature as well as solutions we obtained using the relaxation method and found it sufficiently accurate. In the process, we discovered the reason for the failure of the self-similar analytical model of the jet reconfinement in relatively flat atmospheres a...
Robust relativistic bit commitment
Chakraborty, Kaushik; Chailloux, André; Leverrier, Anthony
2016-12-01
Relativistic cryptography exploits the fact that no information can travel faster than the speed of light in order to obtain security guarantees that cannot be achieved from the laws of quantum mechanics alone. Recently, Lunghi et al. [Phys. Rev. Lett. 115, 030502 (2015), 10.1103/PhysRevLett.115.030502] presented a bit-commitment scheme where each party uses two agents that exchange classical information in a synchronized fashion, and that is both hiding and binding. A caveat is that the commitment time is intrinsically limited by the spatial configuration of the players, and increasing this time requires the agents to exchange messages during the whole duration of the protocol. While such a solution remains computationally attractive, its practicality is severely limited in realistic settings since all communication must remain perfectly synchronized at all times. In this work, we introduce a robust protocol for relativistic bit commitment that tolerates failures of the classical communication network. This is done by adding a third agent to both parties. Our scheme provides a quadratic improvement in terms of expected sustain time compared with the original protocol, while retaining the same level of security.
A relativistic trolley paradox
Matvejev, Vadim N.; Matvejev, Oleg V.; Grøn, Ø.
2016-06-01
We present an apparent paradox within the special theory of relativity, involving a trolley with relativistic velocity and its rolling wheels. Two solutions are given, both making clear the physical reality of the Lorentz contraction, and that the distance on the rails between each time a specific point on the rim touches the rail is not equal to 2 π R , where R is the radius of the wheel, but 2 π R / √{ 1 - R 2 Ω 2 / c 2 } , where Ω is the angular velocity of the wheels. In one solution, the wheel radius is constant as the velocity of the trolley increases, and in the other the wheels contract in the radial direction. We also explain two surprising facts. First that the shape of a rolling wheel is elliptical in spite of the fact that the upper part of the wheel moves faster than the lower part, and thus is more Lorentz contracted, and second that a Lorentz contracted wheel with relativistic velocity rolls out a larger distance between two successive touches of a point of the wheel on the rails than the length of a circle with the same radius as the wheels.
Fractional Dynamics of Relativistic Particle
Tarasov, Vasily E
2011-01-01
Fractional dynamics of relativistic particle is discussed. Derivatives of fractional orders with respect to proper time describe long-term memory effects that correspond to intrinsic dissipative processes. Relativistic particle subjected to a non-potential four-force is considered as a nonholonomic system. The nonholonomic constraint in four-dimensional space-time represents the relativistic invariance by the equation for four-velocity u_{\\mu} u^{\\mu}+c^2=0, where c is a speed of light in vacuum. In the general case, the fractional dynamics of relativistic particle is described as non-Hamiltonian and dissipative. Conditions for fractional relativistic particle to be a Hamiltonian system are considered.
Matsumura, Keisuke; Yoshizaki, Soichi; Maitani, Masato M; Wada, Yuji; Ogomi, Yuhei; Hayase, Shuzi; Kaiho, Tatsuo; Fuse, Shinichiro; Tanaka, Hiroshi; Takahashi, Takashi
2015-06-26
This one-pot, four-component coupling approach (Suzuki-Miyaura coupling/C-H direct arylation/Knoevenagel condensation) was developed for the rapid synthesis of thiophene-based organic dyes for dye-sensitized solar cells (DSSCs). Seven thiophene-based, organic dyes of various donor structures with/without the use of a 3,4-ethylenedioxythiophene (EDOT) moiety were successfully synthesized in good yields based on a readily available thiophene boronic acid pinacol ester scaffold (one-pot, 3-step, 35-61%). Evaluation of the photovoltaic properties of the solar cells that were prepared using the synthesized dyes revealed that the introduction of an EDOT structure beside a cyanoacrylic acid moiety improved the short-circuit current (Jsc) while decreasing the fill factor (FF). The donor structure significantly influenced the open-circuit voltage (Voc), the FF, and the power conversion efficiency (PCE). The use of a n-hexyloxyphenyl amine donor, and our originally developed, rigid, and nonplanar donor, both promoted good cell performance (η=5.2-5.6%).
Magnetic Dissipation in Relativistic Jets
Yosuke Mizuno
2016-10-01
Full Text Available The most promising mechanisms for producing and accelerating relativistic jets, and maintaining collimated structure of relativistic jets involve magnetohydrodynamical (MHD processes. We have investigated the magnetic dissipation mechanism in relativistic jets via relativistic MHD simulations. We found that the relativistic jets involving a helical magnetic field are unstable for the current-driven kink instability, which leads to helically distorted structure in relativistic jets. We identified the regions of high current density in filamentary current sheets, indicative of magnetic reconnection, which are associated to the kink unstable regions and correlated to the converted regions of magnetic to kinetic energies of the jets. We also found that an over-pressured relativistic jet leads to the generation of a series of stationary recollimation shocks and rarefaction structures by the nonlinear interaction of shocks and rarefaction waves. The differences in the recollimation shock structure due to the difference of the magnetic field topologies and strengths may be observable through mm-VLBI observations and space-VLBI mission.
Relativistic Fractal Cosmologies
Ribeiro, Marcelo B
2009-01-01
This article reviews an approach for constructing a simple relativistic fractal cosmology whose main aim is to model the observed inhomogeneities of the distribution of galaxies by means of the Lemaitre-Tolman solution of Einstein's field equations for spherically symmetric dust in comoving coordinates. This model is based on earlier works developed by L. Pietronero and J.R. Wertz on Newtonian cosmology, whose main points are discussed. Observational relations in this spacetime are presented, together with a strategy for finding numerical solutions which approximate an averaged and smoothed out single fractal structure in the past light cone. Such fractal solutions are shown, with one of them being in agreement with some basic observational constraints, including the decay of the average density with the distance as a power law (the de Vaucouleurs' density power law) and the fractal dimension in the range 1 <= D <= 2. The spatially homogeneous Friedmann model is discussed as a special case of the Lemait...
Relativistic Gravothermal Instabilities
Roupas, Zacharias
2014-01-01
The thermodynamic instabilities of the self-gravitating, classical ideal gas are studied in the case of static, spherically symmetric configurations in General Relativity taking into account the Tolman-Ehrenfest effect. One type of instabilities is found at low energies, where thermal energy becomes too weak to halt gravity and another at high energies, where gravitational attraction of thermal pressure overcomes its stabilizing effect. These turning points of stability are found to depend on the total rest mass $\\mathcal{M}$ over the radius $R$. The low energy instability is the relativistic generalization of Antonov instability, which is recovered in the limit $G\\mathcal{M} \\ll R c^2$ and low temperatures, while in the same limit and high temperatures, the high energy instability recovers the instability of the radiation equation of state. In the temperature versus energy diagram of series of equilibria, the two types of gravothermal instabilities make themselves evident as a double spiral! The two energy l...
Lock, Maximilian P E
2016-01-01
The conflict between quantum theory and the theory of relativity is exemplified in their treatment of time. We examine the ways in which their conceptions differ, and describe a semiclassical clock model combining elements of both theories. The results obtained with this clock model in flat spacetime are reviewed, and the problem of generalizing the model to curved spacetime is discussed, before briefly describing an experimental setup which could be used to test of the model. Taking an operationalist view, where time is that which is measured by a clock, we discuss the conclusions that can be drawn from these results, and what clues they contain for a full quantum relativistic theory of time.
Galilean relativistic fluid mechanics
Ván, Péter
2015-01-01
Single component Galilean-relativistic (nonrelativistic) fluids are treated independently of reference frames. The basic fields are given, their balances, thermodynamic relations and the entropy production is calculated. The usual relative basic fields, the mass, momentum and energy densities, the diffusion current density, the pressure tensor and the heat flux are the time- and spacelike components of the third order mass-momentum-energy density tensor according to a velocity field. The transformation rules of the basic fields are derived and prove that the non-equilibrium thermodynamic background theory, that is the Gibbs relation, extensivity condition and the entropy production is absolute, that is independent of the reference frame and also of the fluid velocity. --- Az egykomponensu Galilei-relativisztikus (azaz nemrelativisztikus) disszipativ folyadekokat vonatkoztatasi rendszertol fuggetlenul targyaljuk. Megadjuk az alapmennyisegeket, ezek merlegeit, a termodinamikai osszefuggeseket es kiszamoljuk az ...
Relativistic Runaway Electrons
Breizman, Boris
2014-10-01
This talk covers recent developments in the theory of runaway electrons in a tokamak with an emphasis on highly relativistic electrons produced via the avalanche mechanism. The rapidly growing population of runaway electrons can quickly replace a large part of the initial current carried by the bulk plasma electrons. The magnetic energy associated with this current is typically much greater than the particle kinetic energy. The current of a highly relativistic runaway beam is insensitive to the particle energy, which separates the description of the runaway current evolution from the description of the runaway energy spectrum. A strongly anisotropic distribution of fast electrons is generally prone to high-frequency kinetic instabilities that may cause beneficial enhancement of runaway energy losses. The relevant instabilities are in the frequency range of whistler waves and electron plasma waves. The instability thresholds reported in earlier work have been revised considerably to reflect strong dependence of collisional damping on the wave frequency and the role of plasma non-uniformity, including radial trapping of the excited waves in the plasma. The talk also includes a discussion of enhanced scattering of the runaways as well as the combined effect of enhanced scattering and synchrotron radiation. A noteworthy feature of the avalanche-produced runaway current is a self-sustained regime of marginal criticality: the inductive electric field has to be close to its critical value (representing avalanche threshold) at every location where the runaway current density is finite, and the current density should vanish at any point where the electric field drops below its critical value. This nonlinear Ohm's law enables complete description of the evolving current profile. Work supported by the U.S. Department of Energy Contract No. DEFG02-04ER54742 and by ITER contract ITER-CT-12-4300000273. The views and opinions expressed herein do not necessarily reflect those of
What is "Relativistic Canonical Quantization"?
Arbatsky, D. A.
2005-01-01
The purpose of this review is to give the most popular description of the scheme of quantization of relativistic fields that was named relativistic canonical quantization (RCQ). I do not give here the full exact account of this scheme. But with the help of this review any physicist, even not a specialist in the relativistic quantum theory, will be able to get a general view of the content of RCQ, of its connection with other known approaches, of its novelty and of its fruitfulness.
Multi-Configuration Distorted-Wave Approximation in Electron-Impact Ionization of Ar6+
ZENG Si-Liang; LI Ping; FANG Quan-Yu; QIU Yu-Bo; LI Yue-Ming; YAN Jun; WANG Jian-Guo
2005-01-01
@@ A quasi-relativistic distorted-wave approximation is developed to investigate the direct electron-impact ionization processes, in which the configuration interactions are considered in the initial andfinalstates of target. As an example, the direct detailed-level electron-impact ionization cross sections for the ground and low excited states of Ar6+(3s2, 3p2, 3s3d) are calculated in the energy range from 1.02 to 15Ith (Ith the ionization threshold). Comparison with the available data demonstrates that our results are reasonable. The effects of configuration interactions are discussed, and the validity of transformation principles by statistical weights between configuration-averaged and detailed-level electron-impact ionization cross sections is analysed.
Zambrano, E [Center for Materials Science and Engineering, Rochester Institute of Technology, Rochester, NY 14623 (United States); Kotlarchyk, M [Department of Physics, Rochester Institute of Technology, Rochester, NY 14623 (United States); Langner, A [Department of Chemistry, Rochester Institute of Technology, Rochester, NY 14623 (United States); Faraone, A [NIST Center for Neutron Research, Gaithersburg, MD 20899 (United States)
2006-09-13
Neutron spin-echo spectroscopy and small-angle scattering measurements were performed to determine how the isomeric structure and concentration of C{sub 4}-cosurfactants (i.e. butyl alcohols) influence structure and dynamics in four-component water-in-oil microemulsions. The system investigated was AOT/butanol/water/n-octane at room temperature (AOT denotes sodium di-2-ethyl hexylsulfosuccinate), deuterated to achieve contrast of the surfactant/cosurfactant film. At a fixed volume fraction of 0.06 and a fixed molar ratio of [water]/[AOT] = 20, we studied the effects of increasing the molar ratio of [butanol]/[AOT] from 0 to 30. Data from samples containing the cosurfactant n-butyl alcohol were compared with samples prepared with tert-butyl alcohol and, in a few cases, sec-butyl alcohol. Data were analysed using a core-shell model for polydisperse spherical droplets, allowing for the presence of shape fluctuations. It was found that all structural isomers of the cosurfactant led to a similar decrease in droplet size with increasing alcohol content. In all cases, droplet size and shape fluctuations were observed to increase with alcohol content; however, the effect was most pronounced for size fluctuations (i.e. polydispersity) in the presence of tert-butanol. The data indicates that tert-butanol has a higher degree of penetration into the water core, leading to a reduced influence on the effective area per surfactant head group on the droplet surface. There is also evidence that an increased droplet-droplet attraction upon adding tert-butanol drives phase separation in the system.
Zhou, Zhou; Dunn, Claire; Khadra, Ibrahim; Wilson, Clive G; Halbert, Gavin W
2017-08-22
The absorption of poorly water-soluble drugs is influenced by the luminal gastrointestinal fluid content and composition, which control solubility. Simulated intestinal fluids have been introduced into dissolution testing including endogenous amphiphiles and digested lipids at physiological levels; however, in vivo individual variation exists in the concentrations of these components, which will alter drug absorption through an effect on solubility. The use of a factorial design of experiment and varying media by introducing different levels of bile, lecithin, and digested lipids has been previously reported, but here we investigate the solubility variation of poorly soluble drugs through more complex biorelevant amphiphile interactions. A four-component mixture design was conducted to understand the solubilization capacity and interactions of bile salt, lecithin, oleate, and monoglyceride with a constant total concentration (11.7 mM) but varying molar ratios. The equilibrium solubility of seven low solubility acidic (zafirlukast), basic (aprepitant, carvedilol), and neutral (fenofibrate, felodipine, griseofulvin, and spironolactone) drugs was investigated. Solubility results are comparable with literature values and also our own previously published design of experiment studies. Results indicate that solubilization is not a sum accumulation of individual amphiphile concentrations, but a drug specific effect through interactions of mixed amphiphile compositions with the drug. This is probably due to a combined interaction of drug characteristics; for example, lipophilicity, molecular shape, and ionization with amphiphile components, which can generate specific drug-micelle affinities. The proportion of each component can have a remarkable influence on solubility with, in some cases, the highest and lowest points close to each other. A single-point solubility measurement in a fixed composition simulated media or human intestinal fluid sample will therefore provide a
Simulating relativistic binaries with Whisky
Baiotti, L.
We report about our first tests and results in simulating the last phase of the coalescence and the merger of binary relativistic stars. The simulations were performed using our code Whisky and mesh refinement through the Carpet driver.
Relativistic effects in atom gravimeters
Tan, Yu-Jie; Shao, Cheng-Gang; Hu, Zhong-Kun
2017-01-01
Atom interferometry is currently developing rapidly, which is now reaching sufficient precision to motivate laboratory tests of general relativity. Thus, it is extremely significant to develop a general relativistic model for atom interferometers. In this paper, we mainly present an analytical derivation process and first give a complete vectorial expression for the relativistic interferometric phase shift in an atom interferometer. The dynamics of the interferometer are studied, where both the atoms and the light are treated relativistically. Then, an appropriate coordinate transformation for the light is performed crucially to simplify the calculation. In addition, the Bordé A B C D matrix combined with quantum mechanics and the "perturbation" approach are applied to make a methodical calculation for the total phase shift. Finally, we derive the relativistic phase shift kept up to a sensitivity of the acceleration ˜1 0-14 m/s 2 for a 10 -m -long atom interferometer.
Greenman, Loren; Haxton, Daniel J; McCurdy, C William
2016-01-01
We have verified a mechanism for Raman excitation of atoms through continuum levels previously obtained by quantum optimal control using the multi-configurational time-dependent Hartree-Fock (MCTDHF) method. This mechanism, which was obtained at the time-dependent configuration interaction singles (TDCIS) level of theory, involves sequentially exciting an atom from the ground state to an intermediate core-hole state using a long pump pulse, and then transferring this population to the target Raman state with a shorter Stokes pulse. This process represents the first step in a multidimensional x-ray spectroscopy scheme that will provide a local probe of valence electronic correlations. Although at the optimal pulse intensities at the TDCIS level of theory the MCTDHF method predicts multiple ionization of the atom, at slightly lower intensities (reduced by a factor of about 4) the TDCIS mechanism is shown to hold qualitatively. Quantitatively, the MCTDHF populations are reduced from the TDCIS calculations by a f...
Fromager, Emmanuel
2014-01-01
The exact formulation of multi-configuration density-functional theory (DFT) is discussed in this work. As an alternative to range-separated methods, where electron correlation effects are split in the coordinate space, the combination of Configuration Interaction methods with orbital occupation functionals is explored at the formal level through the separation of correlation effects in the orbital space. When applied to model Hamiltonians, this approach leads to an exact Site-Occupation Embedding Theory (SOET). An adiabatic connection expression is derived for the complementary bath functional and a comparison with Density Matrix Embedding Theory (DMET) is made. Illustrative results are given for the simple two-site Hubbard model. SOET is then applied to a quantum chemical Hamiltonian, thus leading to an exact Complete Active Space Site-Occupation Functional Theory (CASSOFT) where active electrons are correlated explicitly within the CAS and the remaining contributions to the correlation energy are described...
Bierón, Jacek; Indelicato, Paul; Jönsson, Per; Pyykkö, Pekka
2009-01-01
The multiconfiguration Dirac-Hartree-Fock (MCDHF) model has been employed to calculate the expectation values for the hyperfine splittings of the 5d96s2 2D3/2 and 5d96s2 2D5/2 levels of atomic gold. One-, two-, and three-body electron correlation effects involving all 79 electrons have been included in a systematic manner. The approximation employed in this study is equivalent to a Complete Active Space (CAS) approach. Calculated electric field gradients, together with experimental values of the electric quadrupole hyperfine structure constants, allow us to extract a nuclear electric quadrupole moment Q(197Au)=521.5(5.0) mb.
Scattering in Relativistic Particle Mechanics.
de Bievre, Stephan
The problem of direct interaction in relativistic particle mechanics has been extensively studied and a variety of models has been proposed avoiding the conclusions of the so-called no-interaction theorems. In this thesis we study scattering in the relativistic two-body problem. We use our results to analyse gauge invariance in Hamiltonian constraint models and the uniqueness of the symplectic structure in manifestly covariant relativistic particle mechanics. We first present a general geometric framework that underlies approaches to relativistic particle mechanics. This permits a model-independent and geometric definition of the notions of asymptotic completeness and of Moller and scattering operators. Subsequent analysis of these concepts divides into two parts. First, we study the kinematic properties of the scattering transformation, i.e. those properties that arise solely from the invariance of the theory under the Poincare group. We classify all canonical (symplectic) scattering transformations on the relativistic phase space for two free particles in terms of a single function of the two invariants of the theory. We show how this function is determined by the center of mass time delay and scattering angle and vice versa. The second part of our analysis of the relativistic two-body scattering problem is devoted to the dynamical properties of the scattering process. Hence, we turn to two approaches to relativistic particle mechanics: the Hamiltonian constraint models and the manifestly covariant formalism. Using general geometric arguments, we prove "gauge invariance" of the scattering transformation in the Todorov -Komar Hamiltonian constraint model. We conclude that the scattering cross sections of the Todorov-Komar models have the same angular dependence as their non-relativistic counterpart, irrespective of a choice of gauge. This limits the physical relevance of those models. We present a physically non -trivial Hamiltonian constraint model, starting from
Soliton propagation in relativistic hydrodynamics
Fogaça, D A; 10.1016/j.nuclphysa.2007.03.104
2013-01-01
We study the conditions for the formation and propagation of Korteweg-de Vries (KdV) solitons in nuclear matter. In a previous work we have derived a KdV equation from Euler and continuity equations in non-relativistic hydrodynamics. In the present contribution we extend our formalism to relativistic fluids. We present results for a given equation of state, which is based on quantum hadrodynamics (QHD).
Relativistic formulation and reference frame
Klioner, Sergei A.
2004-01-01
After a short review of experimental foundations of metric theories of gravity, the choice of general relativity as a theory to be used for the routine modeling of Gaia observations is justified. General principles of relativistic modeling of astronomical observations are then sketched and compared to the corresponding Newtonian principles. The fundamental reference system -- Barycentric Celestial Reference System, which has been chosen to be the relativistic reference system underlying the f...
Refining a relativistic, hydrodynamic solver: Admitting ultra-relativistic flows
Bernstein, J. P.; Hughes, P. A.
2009-09-01
We have undertaken the simulation of hydrodynamic flows with bulk Lorentz factors in the range 102-106. We discuss the application of an existing relativistic, hydrodynamic primitive variable recovery algorithm to a study of pulsar winds, and, in particular, the refinement made to admit such ultra-relativistic flows. We show that an iterative quartic root finder breaks down for Lorentz factors above 102 and employ an analytic root finder as a solution. We find that the former, which is known to be robust for Lorentz factors up to at least 50, offers a 24% speed advantage. We demonstrate the existence of a simple diagnostic allowing for a hybrid primitives recovery algorithm that includes an automatic, real-time toggle between the iterative and analytical methods. We further determine the accuracy of the iterative and hybrid algorithms for a comprehensive selection of input parameters and demonstrate the latter’s capability to elucidate the internal structure of ultra-relativistic plasmas. In particular, we discuss simulations showing that the interaction of a light, ultra-relativistic pulsar wind with a slow, dense ambient medium can give rise to asymmetry reminiscent of the Guitar nebula leading to the formation of a relativistic backflow harboring a series of internal shockwaves. The shockwaves provide thermalized energy that is available for the continued inflation of the PWN bubble. In turn, the bubble enhances the asymmetry, thereby providing positive feedback to the backflow.
Tsednee, Tsogbayar; Liang, Liyuan; Yeager, Danny L.
2015-01-01
We propose and develop the complex scaled multiconfigurational spin-tensor electron propagator (CMCSTEP) technique for theoretical determination of resonance parameters with electron-atom/molecule systems including open-shell and highly correlated atoms and molecules. The multiconfigurational spin-tensor electron propagator method (MCSTEP) developed and implemented by Yeager his coworkers in real space gives very accurate and reliable ionization potentials and attachment energies. The CMCSTEP...
Empirical Foundations of Relativistic Gravity
Ni, W T
2005-01-01
In 1859, Le Verrier discovered the mercury perihelion advance anomaly. This anomaly turned out to be the first relativistic-gravity effect observed. During the 141 years to 2000, the precisions of laboratory and space experiments, and astrophysical and cosmological observations on relativistic gravity have been improved by 3 orders of magnitude. In 1999, we envisaged a 3-6 order improvement in the next 30 years in all directions of tests of relativistic gravity. In 2000, the interferometric gravitational wave detectors began their runs to accumulate data. In 2003, the measurement of relativistic Shapiro time-delay of the Cassini spacecraft determined the relativistic-gravity parameter gammaγ with a 1.5-order improvement. In October 2004, Ciufolini and Pavlis reported a measurement of the Lense-Thirring effect on the LAGEOS and LAGEOS2 satellites to 10 percent of the value predicted by general relativity. In April 2004, Gravity Probe B was launched and has been accumulating science data for more than ...
Pathak, Himadri; Sasmal, Sudip; Nayak, Malaya K.; Vaval, Nayana; Pal, Sourav
2016-08-01
The open-shell reference relativistic equation-of-motion coupled-cluster method within its four-component description is successfully implemented with the consideration of single- and double- excitation approximations using the Dirac-Coulomb Hamiltonian. At the first attempt, the implemented method is employed to calculate ionization potential value of heavy atomic (Ag, Cs, Au, Fr, and Lr) and molecular (HgH and PbF) systems, where the effect of relativity does really matter to obtain highly accurate results. Not only the relativistic effect but also the effect of electron correlation is crucial in these heavy atomic and molecular systems. To justify the fact, we have taken two further approximations in the four-component relativistic equation-of-motion framework to quantify how the effect of electron correlation plays a role in the calculated values at different levels of theory. All these calculated results are compared with the available experimental data as well as with other theoretically calculated values to judge the extent of accuracy obtained in our calculations.
Frediani, Luca; Ågren, Hans; Ferrighi, Lara; Ruud, Kenneth
2005-10-01
We present the first implementation of the quadratic response function for multiconfigurational self-consistent-field wave functions of solvated molecules described by a polarizable continuum model employing a molecule-shaped cavity. We apply the methodology to the first hyperpolarizability β and, in particular, the second-harmonic generation process for a series of conjugated push-pull oligomers, as well as for para-nitroaniline. The effect of solvation on the dispersion of the hyperpolarizability and the change in the hyperpolarizability for increasing chain length of the oligomers in vacuum and in solution is considered. The effect of a correlated description is analyzed by comparing the Hartree-Fock hyperpolarizabilities to the multiconfigurational self-consistent-field hyperpolarizabilities. The effect of geometry relaxation in the solvent on the properties of the solvated molecules are also investigated.
Frediani, Luca; Agren, Hans; Ferrighi, Lara; Ruud, Kenneth
2005-10-08
We present the first implementation of the quadratic response function for multiconfigurational self-consistent-field wave functions of solvated molecules described by a polarizable continuum model employing a molecule-shaped cavity. We apply the methodology to the first hyperpolarizability beta and, in particular, the second-harmonic generation process for a series of conjugated push-pull oligomers, as well as for para-nitroaniline. The effect of solvation on the dispersion of the hyperpolarizability and the change in the hyperpolarizability for increasing chain length of the oligomers in vacuum and in solution is considered. The effect of a correlated description is analyzed by comparing the Hartree-Fock hyperpolarizabilities to the multiconfigurational self-consistent-field hyperpolarizabilities. The effect of geometry relaxation in the solvent on the properties of the solvated molecules are also investigated.
Bolsinger, V; Schmelcher, P
2016-01-01
Exploring the impact of dimensionality on the quantum dynamics of interacting bosons in traps including particle correlations is an interesting but challenging task. Due to the different participating length scales the modelling of the short-range interactions in three dimensions plays a special role. We review different approaches for the latter and elaborate that for multi-configurational computational strategies finite range potentials are adequate resulting in the need of large grids to resolve the relevant length scales. This results in computational challenges which include also the exponential scaling of complexity with the number of atoms. We show that the recently developed ab-initio Multi-Layer Multi-Configurational Time- Dependent Hartee method for Bosons (ML-MCTDHB) [J. Chem. Phys. 139, 134103 (2013)] can face both numerical challenges and present an efficient numerical implementation of ML-MCTDHB in three spatial dimensions, particularly suited to describe the quantum dynamics for elongated traps...
Relativistic causality and clockless circuits
Matherat, Philippe; 10.1145/2043643.2043650
2011-01-01
Time plays a crucial role in the performance of computing systems. The accurate modelling of logical devices, and of their physical implementations, requires an appropriate representation of time and of all properties that depend on this notion. The need for a proper model, particularly acute in the design of clockless delay-insensitive (DI) circuits, leads one to reconsider the classical descriptions of time and of the resulting order and causal relations satisfied by logical operations. This questioning meets the criticisms of classical spacetime formulated by Einstein when founding relativity theory and is answered by relativistic conceptions of time and causality. Applying this approach to clockless circuits and considering the trace formalism, we rewrite Udding's rules which characterize communications between DI components. We exhibit their intrinsic relation with relativistic causality. For that purpose, we introduce relativistic generalizations of traces, called R-traces, which provide a pertinent des...
Sawada, Ryohto; Ishikawa, Kenichi L
2016-01-01
We report a three-dimensional numerical implementation of multiconfiguration time-dependent Hartree-Fock (MCTDHF) based on a multi-resolution Cartesian grid, with no need to assume any symmetry of molecular structure. We successfully compute high-harmonic generation (HHG) of H2 and H2O. The present implementation will open a way to the first-principle theoretical study of intense-field and attosecond-pulse induced ultrafast phenomena in general molecules.
Relativistic RPA in axial symmetry
Arteaga, D Pena; 10.1103/PhysRevC.77.034317
2009-01-01
Covariant density functional theory, in the framework of self-consistent Relativistic Mean Field (RMF) and Relativistic Random Phase approximation (RPA), is for the first time applied to axially deformed nuclei. The fully self-consistent RMF+RRPA equations are posed for the case of axial symmetry and non-linear energy functionals, and solved with the help of a new parallel code. Formal properties of RPA theory are studied and special care is taken in order to validate the proper decoupling of spurious modes and their influence on the physical response. Sample applications to the magnetic and electric dipole transitions in $^{20}$Ne are presented and analyzed.
Multifragmentation calculated with relativistic forces
Feldmeier, H; Papp, G
1995-01-01
A saturating hamiltonian is presented in a relativistically covariant formalism. The interaction is described by scalar and vector mesons, with coupling strengths adjusted to the nuclear matter. No explicit density depe ndence is assumed. The hamiltonian is applied in a QMD calculation to determine the fragment distribution in O + Br collision at different energies (50 -- 200 MeV/u) to test the applicability of the model at low energies. The results are compared with experiment and with previous non-relativistic calculations. PACS: 25.70Mn, 25.75.+r
Relativistic Stern-Gerlach Deflection
Talman, Richard
2016-01-01
Modern advances in polarized beam control should make it possible to accurately measure Stern-Gerlach (S-G) deflection of relativistic beams. Toward this end a relativistically covariant S-G formalism is developed that respects the opposite behavior under inversion of electric and magnetic fields. Not at all radical, or even new, this introduces a distinction between electric and magnetic fields that is not otherwise present in pure Maxwell theory. Experimental configurations (mainly using polarized electron beams passing through magnetic or electric quadrupoles) are described. Electron beam preparation and experimental methods needed to detect the extremely small deflections are discussed.
Special Relativistic Hydrodynamics with Gravitation
Hwang, Jai-chan; Noh, Hyerim
2016-12-01
Special relativistic hydrodynamics with weak gravity has hitherto been unknown in the literature. Whether such an asymmetric combination is possible has been unclear. Here, the hydrodynamic equations with Poisson-type gravity, considering fully relativistic velocity and pressure under the weak gravity and the action-at-a-distance limit, are consistently derived from Einstein’s theory of general relativity. An analysis is made in the maximal slicing, where the Poisson’s equation becomes much simpler than our previous study in the zero-shear gauge. Also presented is the hydrodynamic equations in the first post-Newtonian approximation, now under the general hypersurface condition. Our formulation includes the anisotropic stress.
Special relativistic hydrodynamics with gravitation
Hwang, Jai-chan
2016-01-01
The special relativistic hydrodynamics with weak gravity is hitherto unknown in the literature. Whether such an asymmetric combination is possible was unclear. Here, the hydrodynamic equations with Poisson-type gravity considering fully relativistic velocity and pressure under the weak gravity and the action-at-a-distance limit are consistently derived from Einstein's general relativity. Analysis is made in the maximal slicing where the Poisson's equation becomes much simpler than our previous study in the zero-shear gauge. Also presented is the hydrodynamic equations in the first post-Newtonian approximation, now under the {\\it general} hypersurface condition. Our formulation includes the anisotropic stress.
Vector Theory in Relativistic Thermodynamics
刘泽文
1994-01-01
It is pointed out that five defects occur in Planck-Einstein’s relativistic thermodynamics (P-E theory). A vector theory in relativistic thermodynamics (VTRT) is established. Defining the internal energy as a 4-vector, and supposing the entropy and the number of. particles to be invariants we have derived the transformations of all quantities, and subsequently got the Lagrangian and 4-D forms of thermodynamic laws. In order to test the new theory, several exact solutions with classical limits are given. The VTRT is free from the defects of the P-E theory.
Frontiers in relativistic celestial mechanics
2014-01-01
Relativistic celestial mechanics – investigating the motion celestial bodies under the influence of general relativity – is a major tool of modern experimental gravitational physics. With a wide range of prominent authors from the field, this two-volume series consists of reviews on a multitude of advanced topics in the area of relativistic celestial mechanics – starting from more classical topics such as the regime of asymptotically-flat spacetime, light propagation and celestial ephemerides, but also including its role in cosmology and alternative theories of gravity as well as modern experiments in this area.
Jadoon, Khan Z.; Moghadas, Davood; Jadoon, Aurangzeb; Missimer, Thomas M.; McCabe, Matthew
2014-05-01
In arid and semi-arid regions, development of precise information on the soil wetting pattern is important to optimize drip irrigation system design for sustainable agricultural water management. Usually mathematical models are commonly used to describe infiltration from a point source to design and manage drip irrigation systems. The extent to which water migrates laterally and vertically away from the drip emitter depends on many factors, including dripper discharge rate, the frequency of water application, duration of drip emission, the soil hydraulic characteristics, initial conditions, evaporation, root water uptake and root distribution patterns. However, several simplified assumptions in the mathematical models affect their utility to provide useful design information. In this respect, non-invasive geophysical methods, i.e., low frequency electromagnetic induction (EMI) systems are becoming powerful tools to map spatial and temporal soil moisture patterns due to fast measurement capability and sensitivity to soil water content and salinity. In this research, a new electromagnetic system, the CMD mini-Explorer, is used for soil characterization to measure the wetting patterns of drip irrigation systems using joint inversion of multi-configuration EMI measurements. Six transects of EMI measurements were carried out in a farm where Acacia trees are irrigated with brackish water using a drip irrigation system. EMI reference data (ground-truths) were calculated using vertical soil electrical conductivity recorded in different trenches along one of the measurement transects. Reference data is used for calibration to minimize the instrumental shifts which often occur in EMI data. Global and local optimization algorithms are used sequentially, to minimize the misfit between the measured and modeled apparent electrical conductivity (δa) to reconstruct the vertical electrical conductivity profile. The electromagnetic forward model based on full solution of Maxwell
Tan, Xihe; Mester, Achim; von Hebel, Christian; van der Kruk, Jan; Zimmermann, Egon; Vereecken, Harry; van Waasen, Stefan
2017-04-01
Electromagnetic induction (EMI) systems offer a great potential to obtain highly resolved layered electrical conductivity models of the shallow subsurface. State-of-the-art inversion procedures require quantitative calibration of EMI data, especially for short-offset EMI systems where significant data shifts are often observed. These shifts are caused by external influences such as the presence of the operator, zero-leveling procedures, the field setup used to move the EMI system and/or cables close by. Calibrations can be performed by using collocated electrical resistivity measurements or taking soil samples, however, these two methods take a lot of time in the field. To improve the calibration in a fast and concise way, we introduce a novel on-site calibration method using a series of apparent electrical conductivity (ECa) values acquired at multiple elevations for a multi-configuration EMI system. No additional instrument or pre-knowledge of the subsurface is needed to acquire quantitative ECa data. By using this calibration method, we correct each coil configuration, i.e., transmitter and receiver coil separation and the horizontal or vertical coplanar (HCP or VCP) coil orientation with a unique set of calibration parameters. A multi-layer soil structure at the corresponding measurement location is inverted together with the calibration parameters using full-solution Maxwell equations for the forward modelling within the shuffled complex evolution (SCE) algorithm to find the optimum solution under a user-defined parameter space. Synthetic data verified the feasibility for calibrating HCP and VCP measurements of a custom made six-coil EMI system with coil offsets between 0.35 m and 1.8 m for quantitative data inversions. As a next step, we applied the calibration approach on acquired experimental data from a bare soil test field (Selhausen, Germany) for the considered EMI system. The obtained calibration parameters were applied to measurements over a 30 m
Arash Ghorbani-Choghamarani; Parisa Zamani
2014-01-01
An efficient, one-pot, four-component condensation of aldehydes, acetophenone (or propiophenone), acetyl chloride and acetonitrile in the presence of catalytic amounts of -pyrrolidine-2-carboxylic acid-4-hydrogen sulphate (supported on silica gel), a green and non-toxic catalyst, is described for the preparation of -acetamido ketones in good to excellent yields.
Relativistic Hydrodynamics for Heavy-Ion Collisions
Ollitrault, Jean-Yves
2008-01-01
Relativistic hydrodynamics is essential to our current understanding of nucleus-nucleus collisions at ultrarelativistic energies (current experiments at the Relativistic Heavy Ion Collider, forthcoming experiments at the CERN Large Hadron Collider). This is an introduction to relativistic hydrodynamics for graduate students. It includes a detailed…
Microscopic Processes in Relativistic Jets
Nishikawa, K.-I.; Hardee, P.; Mizuno, Y.; Medvedev, M.; Zhang, B.; Nordlund, A.; Fredricksen, J.; Sol, H.; Niemiec, J.; Lyubarsky, Y.;
2008-01-01
Nonthermal radiation observed from astrophysical systems containing relativistic jets and shocks, e.g., gamma-ray bursts (GRBs), active galactic nuclei (AGNs), and Galactic microquasar systems usually have power-law emission spectra. Recent PIC simulations of relativistic electron-ion (electro-positron) jets injected into a stationary medium show that particle acceleration occurs within the downstream jet. In the collisionless relativistic shock particle acceleration is due to plasma waves and their associated instabilities (e.g., the Buneman instability, other two-streaming instability, and the Weibel (filamentation) instability) created in the shocks are responsible for particle (electron, positron, and ion) acceleration. The simulation results show that the Weibel instability is responsible for generating and amplifying highly nonuniform, small-scale magnetic fields. These magnetic fields contribute to the electron's transverse deflection behind the jet head. The 'jitter' radiation from deflected electrons has different properties than synchrotron radiation which is calculated in a uniform magnetic field. This jitter radiation may be important to understanding the complex time evolution and/or spectral structure in gamma-ray bursts, relativistic jets, and supernova remnants.
The Highest Redshift Relativistic Jets
Cheung, C.C.; Stawarz, L.; Siemiginowska, A.; Harris, D.E; Schwartz, D.A.; Wardle, J.F.C.; Gobeille, D.; Lee, N.P.
2007-12-18
We describe our efforts to understand large-scale (10's-100's kpc) relativistic jet systems through observations of the highest-redshift quasars. Results from a VLA survey search for radio jets in {approx} 30 z > 3.4 quasars are described along with new Chandra observations of 4 selected targets.
Circular polarization in relativistic jets
Macquart, JP
2003-01-01
Circular polarization is observed in some relativistic jet sources at radio wavelengths. It is largely associated with activity in the cores of the radio sources, is highly variable, and is strongest during ejection episodes. VLBI imaging and interstellar scintillation arguments show that the degree
Vendrell, Oriol; Meyer, Hans-Dieter
2011-01-28
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method is discussed and a fully general implementation for any number of layers based on the recursive ML-MCTDH algorithm given by Manthe [J. Chem. Phys. 128, 164116 (2008)] is presented. The method is applied first to a generalized Henon-Heiles (HH) hamiltonian. For 6D HH the overhead of ML-MCTDH makes the method slower than MCTDH, but for 18D HH ML-MCTDH starts to be competitive. We report as well 1458D simulations of the HH hamiltonian using a seven-layer scheme. The photoabsorption spectrum of pyrazine computed with the 24D hamiltonian of Raab et al. [J. Chem. Phys. 110, 936 (1999)] provides a realistic molecular test case for the method. Quick and small ML-MCTDH calculations needing a fraction of the time and resources of reference MCTDH calculations provide already spectra with all the correct features. Accepting slightly larger deviations, the calculation can be accelerated to take only 7 min. When pushing the method toward convergence, results of similar quality than the best available MCTDH benchmark, which is based on a wavepacket with 4.6×10(7)time-dependent coefficients, are obtained with a much more compact wavefunction consisting of only 4.5×10(5) coefficients and requiring a shorter computation time.
Kato, Tsuyoshi; Ide, Yoshihiro; Yamanouchi, Kaoru [Department of Chemistry, School of Science, The University of Tokyo, 7-3-1, Hongo Bunkyo-ku, Tokyo, 113-0033 (Japan)
2015-12-31
We first calculate the ground-state molecular wave function of 1D model H{sub 2} molecule by solving the coupled equations of motion formulated in the extended multi-configuration time-dependent Hartree-Fock (MCTDHF) method by the imaginary time propagation. From the comparisons with the results obtained by the Born-Huang (BH) expansion method as well as with the exact wave function, we observe that the memory size required in the extended MCTDHF method is about two orders of magnitude smaller than in the BH expansion method to achieve the same accuracy for the total energy. Second, in order to provide a theoretical means to understand dynamical behavior of the wave function, we propose to define effective adiabatic potential functions and compare them with the conventional adiabatic electronic potentials, although the notion of the adiabatic potentials is not used in the extended MCTDHF approach. From the comparison, we conclude that by calculating the effective potentials we may be able to predict the energy differences among electronic states even for a time-dependent system, e.g., time-dependent excitation energies, which would be difficult to be estimated within the BH expansion approach.
Fasshauer, Elke
2015-01-01
We report on an implementation of the multiconfigurational time-dependent Hartree method (MCTDH) for spin-polarized fermions (MCTDHF). Our approach is based on a mapping for opera- tors in Fock space that allows a compact and efficient application of the Hamiltonian and solution of the MCTDHF equations of motion. Our implementation extends, builds on and exploits the recursive implementation of MCTDH for bosons (R-MCTDHB) package. Together with R-MCTDHB, the present implementation of MCTDHF forms the MCTDH-X package. We benchmark the accuracy of the algorithm with the harmonic interaction model and a time-dependent generalization thereof. These models consider parabolically trapped particles that interact through a harmonic interaction potential. We demonstrate, that MCTDHF is capable of solving the time-dependent many-fermion Schr\\"odinger equation to an in principle arbitrary degree of precision and can hence yield numerically exact results even in the case of Hamiltonians with time-dependent one-body and t...
Fast lattice Boltzmann solver for relativistic hydrodynamics.
Mendoza, M; Boghosian, B M; Herrmann, H J; Succi, S
2010-07-01
A lattice Boltzmann formulation for relativistic fluids is presented and numerically validated through quantitative comparison with recent hydrodynamic simulations of relativistic fluids. In order to illustrate its capability to handle complex geometries, the scheme is also applied to the case of a three-dimensional relativistic shock wave, generated by a supernova explosion, impacting on a massive interstellar cloud. This formulation opens up the possibility of exporting the proven advantages of lattice Boltzmann methods, namely, computational efficiency and easy handling of complex geometries, to the context of (mildly) relativistic fluid dynamics at large, from quark-gluon plasmas up to supernovae with relativistic outflows.
Lipparini, Filippo; Gauss, Jürgen
2016-09-13
We present an implementation of the complete active space-self-consistent field (CASSCF) method specifically designed to be used in four-component scalar relativistic calculations based on the spin-free Dirac-Coulomb (SFDC) Hamiltonian. Our implementation takes full advantage of the properties of the SFDC Hamiltonian that allow us to use real algebra and to exploit point-group and spin symmetry to their full extent while including in a rigorous way scalar relativistic effects in the treatment. The SFDC-CASSCF treatment is more expensive than its non-relativistic counterpart only in the orbital optimization step, while exhibiting the same computational cost for the rate-determining full configuration interaction part. The numerical aspects are discussed, and the capabilities of the SFDC-CASSCF methodology are demonstrated through a pilot application.
刘铁路; 王云良; 路彦珍
2015-01-01
The nonlinear propagation of quantum ion acoustic wave (QIAW) is investigated in a four-component plasma com-posed of warm classical positive ions and negative ions, as well as inertialess relativistically degenerate electrons and positrons. A nonlinear Schr ¨odinger equation is derived by using the reductive perturbation method, which governs the dynamics of QIAW packets. The modulation instability analysis of QIAWs is considered based on the typical parameters of the white dwarf. The results exhibit that both in weakly relativistic limit and in ultrarelativistic limit, the modulational instability regions are sensitively dependent on the ratios of temperature and number density of negative ions to those of positive ions respectively, and on relativistically degenerate effect as well.
Contribution of relativistic quantum chemistry to electron’s electric dipole moment for CP violation
Abe, M., E-mail: minoria@tmu.ac.jp; Gopakumar, G., E-mail: gopakumargeetha@gmail.com; Hada, M., E-mail: hada@tmu.ac.jp [Tokyo Metropolitan University, 1-1, Minami-Osawa, Hachioji-city, Tokyo 192-0397 (Japan); JST, CREST, 4-1-8 Honcho, Kawaguchi, Saitama 332-0012 (Japan); Das, B. P., E-mail: das@iiap.ernet.in [Indian Institute of Astrophysics, Bangalore 560 034 (India); Tatewaki, H., E-mail: htatewak@nsc.nagoya-cu.ac.jp [Graduate School of Natural Sciences, Nagoya City University, Nagoya, Aichi 467-8501 (Japan); Mukherjee, D., E-mail: pcdm@iacs.res.in [Raman Center of Atomic, Molecular and Optical Sciences, IACS, Kolkata 700 032 (India)
2015-12-31
The search for the electric dipole moment of the electron (eEDM) is important because it is a probe of Charge Conjugation-Parity (CP) violation. It can also shed light on new physics beyond the standard model. It is not possible to measure the eEDM directly. However, the interaction energy involving the effective electric field (E{sub eff}) acting on an electron in a molecule and the eEDM can be measured. This quantity can be combined with E{sub eff}, which is calculated by relativistic molecular orbital theory to determine eEDM. Previous calculations of E{sub eff} were not sufficiently accurate in the treatment of relativistic or electron correlation effects. We therefore developed a new method to calculate E{sub eff} based on a four-component relativistic coupled-cluster theory. We demonstrated our method for YbF molecule, one of the promising candidates for the eEDM search. Using very large basis set and without freezing any core orbitals, we obtain a value of 23.1 GV/cm for E{sub eff} in YbF with an estimated error of less than 10%. The error is assessed by comparison of our calculations and experiments for two properties relevant for E{sub eff}, permanent dipole moment and hyperfine coupling constant. Our method paves the way to calculate properties of various kinds of molecules which can be described by a single-reference wave function.
The Relativistic Effects on the Carbon-Carbon Coupling Constants Mediated by a Heavy Atom.
Wodyński, Artur; Malkina, Olga L; Pecul, Magdalena
2016-07-21
The (2)JCC, (3)JCC, and (4)JCC spin-spin coupling constants in the systems with a heavy atom (Cd, In, Sn, Sb, Te, Hg, Tl, Pb, Bi, and Po) in the coupling path have been calculated by means of density functional theory. The main goal was to estimate the relativistic effects on spin-spin coupling constants and to explore the factors which may influence them, including the nature of the heavy atom and carbon hybridization. The methods applied range, in order of reduced complexity, from the Dirac-Kohn-Sham (DKS) method (density functional theory with four-component Dirac-Coulomb Hamiltonian), through DFT with two- and one-component zeroth-order regular approximation (ZORA) Hamiltonians, to scalar effective core potentials (ECPs) with the nonrelativistic Hamiltonian. The use of DKS and ZORA methods leads to very similar results, and small-core ECPs of the MDF and MWB variety reproduce correctly the scalar relativistic effects. Scalar relativistic effects usually are larger than the spin-orbit coupling effects. The latter tend to influence the most the coupling constants of the sp(3)-hybridized carbon atoms and in compounds of the p-block heavy atoms. Large spin-orbit coupling contributions for the Po compounds are probably connected with the inverse of the lowest triplet excitation energy.
Saman Damavandi
2016-11-01
Full Text Available A series of chromeno[2,3-b]quinolinol derivatives were synthesized through one-pot four-component reaction of resorcinol, malononitrile, aromatic aldehydes and cyclohexanone using iron(III triflate Fe(OTf3, under solvent-free and ultrasonic irradiation conditions. The products were afforded in good to excellent yields. The advantages of this method are the use of an inexpensive and readily available catalyst, short reaction time, easy workup and improved yields.
Relativistic electron beams above thunderclouds
Füellekrug, M.; Roussel-Dupre, R.; Symbalisty, E. M. D.;
2011-01-01
Non-luminous relativistic electron beams above thunderclouds have been detected by the radio signals of low frequency similar to 40-400 kHz which they radiate. The electron beams occur similar to 2-9 ms after positive cloud-to-ground lightning discharges at heights between similar to 22-72 km above...... thunderclouds. Intense positive lightning discharges can also cause sprites which occur either above or prior to the electron beam. One electron beam was detected without any luminous sprite which suggests that electron beams may also occur independently of sprites. Numerical simulations show that beams...... of electrons partially discharge the lightning electric field above thunderclouds and thereby gain a mean energy of similar to 7MeV to transport a total charge of similar to-10mC upwards. The impulsive current similar to 3 x 10(-3) Am-2 associated with relativistic electron beams above thunderclouds...
Relativistic electron beams above thunderclouds
M. Füllekrug
2011-05-01
Full Text Available Non-luminous relativistic electron beams above thunderclouds are detected by radio remote sensing with low frequency radio signals from 40–400 kHz. The electron beams occur 2–9 ms after positive cloud-to-ground lightning discharges at heights between 22–72 km above thunderclouds. The positive lightning discharges also cause sprites which occur either above or before the electron beam. One electron beam was detected without any luminous sprite occurrence which suggests that electron beams may also occur independently. Numerical simulations show that the beamed electrons partially discharge the lightning electric field above thunderclouds and thereby gain a mean energy of 7 MeV to transport a total charge of 10 mC upwards. The impulsive current associated with relativistic electron beams above thunderclouds is directed downwards and needs to be considered as a novel element of the global atmospheric electric circuit.
Volatility smile as relativistic effect
Kakushadze, Zura
2017-06-01
We give an explicit formula for the probability distribution based on a relativistic extension of Brownian motion. The distribution (1) is properly normalized and (2) obeys the tower law (semigroup property), so we can construct martingales and self-financing hedging strategies and price claims (options). This model is a 1-constant-parameter extension of the Black-Scholes-Merton model. The new parameter is the analog of the speed of light in Special Relativity. However, in the financial context there is no ;speed limit; and the new parameter has the meaning of a characteristic diffusion speed at which relativistic effects become important and lead to a much softer asymptotic behavior, i.e., fat tails, giving rise to volatility smiles. We argue that a nonlocal stochastic description of such (Lévy) processes is inadequate and discuss a local description from physics. The presentation is intended to be pedagogical.
Double Relativistic Electron Accelerating Mirror
Saltanat Sadykova
2013-02-01
Full Text Available In the present paper, the possibility of generation of thin dense relativistic electron layers is shown using the analytical and numerical modeling of laser pulse interaction with ultra-thin layers. It was shown that the maximum electron energy can be gained by optimal tuning between the target width, intensity and laser pulse duration. The optimal parameters were obtained from a self-consistent system of Maxwell equations and the equation of motion of electron layer. For thin relativistic electron layers, the gaining of maximum electron energies requires a second additional overdense plasma layer, thus cutting the laser radiation off the plasma screen at the instant of gaining the maximum energy (DREAM-schema.
Relativistic stars in bigravity theory
Aoki, Katsuki; Tanabe, Makoto
2016-01-01
Assuming static and spherically symmetric spacetimes in the ghost-free bigravity theory, we find a relativistic star solution, which is very close to that in general relativity. The coupling constants are classified into two classes: Class [I] and Class [II]. Although the Vainshtein screening mechanism is found in the weak gravitational field for both classes, we find that there is no regular solution beyond the critical value of the compactness in Class [I]. This implies that the maximum mass of a neutron star in Class [I] becomes much smaller than that in GR. On the other hand, for the solution in Class [II], the Vainshtein screening mechanism works well even in a relativistic star and the result in GR is recovered.
Relativistic Hydrodynamics on Graphic Cards
Gerhard, Jochen; Bleicher, Marcus
2012-01-01
We show how to accelerate relativistic hydrodynamics simulations using graphic cards (graphic processing units, GPUs). These improvements are of highest relevance e.g. to the field of high-energetic nucleus-nucleus collisions at RHIC and LHC where (ideal and dissipative) relativistic hydrodynamics is used to calculate the evolution of hot and dense QCD matter. The results reported here are based on the Sharp And Smooth Transport Algorithm (SHASTA), which is employed in many hydrodynamical models and hybrid simulation packages, e.g. the Ultrarelativistic Quantum Molecular Dynamics model (UrQMD). We have redesigned the SHASTA using the OpenCL computing framework to work on accelerators like graphic processing units (GPUs) as well as on multi-core processors. With the redesign of the algorithm the hydrodynamic calculations have been accelerated by a factor 160 allowing for event-by-event calculations and better statistics in hybrid calculations.
A relativistic symmetry in nuclei
Ginocchio, J N [MS B283, Theoretical Division, Los Alamos National Laboratory Los Alamos, New Mexico 87545 (Mexico)
2007-11-15
We review some of the empirical and theoretical evidence supporting pseudospin symmetry in nuclei as a relativistic symmetry. We review the case that the eigenfunctions of realistic relativistic nuclear mean fields approximately conserve pseudospin symmetry in nuclei. We discuss the implications of pseudospin symmetry for magnetic dipole transitions and Gamow-Teller transitions between states in pseudospin doublets. We explore a more fundamental rationale for pseudospin symmetry in terms of quantum chromodynamics (QCD), the basic theory of the strong interactions. We show that pseudospin symmetry in nuclei implies spin symmetry for an anti-nucleon in a nuclear environment. We also discuss the future and what role pseudospin symmetry may be expected to play in an effective field theory of nucleons.
Fluctuations in Relativistic Causal Hydrodynamics
Kumar, Avdhesh; Mishra, Ananta P
2013-01-01
The formalism to calculate the hydrodynamics fluctuation using the quasi-stationary fluctuation theory of Onsager to the relativistic Navier-Stokes hydrodynamics is already known. In this work we calculate hydrodynamic fluctuations in relativistic causal theory of Muller, Israel and Stewart and other related causal hydrodynamic theories. We show that expressions for the Onsager coefficients and the correlation functions have form similar to the ones obtained by using Navier-Stokes equation. However, temporal evolution of the correlation functions obtained using MIS and the other causal theories can be significantly different than the correlation functions obtained using the Navier-Stokes equation. Finally, as an illustrative example, we explicitly plot the correlation functions obtained using the causal-hydrodynamics theories and compare them with correlation functions obtained by earlier authors using the expanding boost-invariant (Bjorken) flows.
Thermodynamic and relativistic uncertainty relations
Artamonov, A. A.; Plotnikov, E. M.
2017-01-01
Thermodynamic uncertainty relation (UR) was verified experimentally. The experiments have shown the validity of the quantum analogue of the zeroth law of stochastic thermodynamics in the form of the saturated Schrödinger UR. We have also proposed a new type of UR for the relativistic mechanics. These relations allow us to consider macroscopic phenomena within the limits of the ratio of the uncertainty relations for different physical quantities.
Pythagoras Theorem and Relativistic Kinematics
Mulaj, Zenun; Dhoqina, Polikron
2010-01-01
In two inertial frames that move in a particular direction, may be registered a light signal that propagates in an angle with this direction. Applying Pythagoras theorem and principles of STR in both systems, we can derive all relativistic kinematics relations like the relativity of simultaneity of events, of the time interval, of the length of objects, of the velocity of the material point, Lorentz transformations, Doppler effect and stellar aberration.
Relativistic Binaries in Globular Clusters
Benacquista Matthew J.
2006-02-01
Full Text Available The galactic population of globular clusters are old, dense star systems, with a typical cluster containing 10^4 - 10^7 stars. As an old population of stars, globular clusters contain many collapsed and degenerate objects. As a dense population of stars, globular clusters are the scene of many interesting close dynamical interactions between stars. These dynamical interactions can alter the evolution of individual stars and can produce tight binary systems containing one or two compact objects. In this review, we discuss the theoretical models of globular cluster evolution and binary evolution, techniques for simulating this evolution which lead to relativistic binaries, and current and possible future observational evidence for this population. Globular cluster evolution will focus on the properties that boost the production of hard binary systems and on the tidal interactions of the galaxy with the cluster, which tend to alter the structure of the globular cluster with time. The interaction of the components of hard binary systems alters the evolution of both bodies and can lead to exotic objects. Direct N-body integrations and Fokker-Planck simulations of the evolution of globular clusters that incorporate tidal interactions and lead to predictions of relativistic binary populations are also discussed. We discuss the current observational evidence for cataclysmic variables, millisecond pulsars, and low-mass X-ray binaries as well as possible future detection of relativistic binaries with gravitational radiation.
Relativistic Binaries in Globular Clusters
Benacquista Matthew
2002-01-01
Full Text Available The galactic population of globular clusters are old, dense star systems, with a typical cluster containing $10^4 - 10^6$ stars. As an old population of stars, globular clusters contain many collapsed and degenerate objects. As a dense population of stars, globular clusters are the scene of many interesting close dynamical interactions between stars. These dynamical interactions can alter the evolution of individual stars and can produce tight binary systems containing one or two compact objects. In this review, we discuss the theoretical models of globular cluster evolution and binary evolution, techniques for simulating this evolution which lead to relativistic binaries, and current and possible future observational evidence for this population. Globular cluster evolution will focus on the properties that boost the production of hard binary systems and on the tidal interactions of the galaxy with the cluster, which tend to alter the structure of the globular cluster with time. The interaction of the components of hard binary systems alters the evolution of both bodies and can lead to exotic objects. Direct $N$-body integrations and Fokker--Planck simulations of the evolution of globular clusters that incorporate tidal interactions and lead to predictions of relativistic binary populations are also discussed. We discuss the current observational evidence for cataclysmic variables, millisecond pulsars, and low-mass X-ray binaries as well as possible future detection of relativistic binaries with gravitational radiation.
Relativistic Binaries in Globular Clusters
Matthew J. Benacquista
2013-03-01
Full Text Available Galactic globular clusters are old, dense star systems typically containing 10^4 – 10^6 stars. As an old population of stars, globular clusters contain many collapsed and degenerate objects. As a dense population of stars, globular clusters are the scene of many interesting close dynamical interactions between stars. These dynamical interactions can alter the evolution of individual stars and can produce tight binary systems containing one or two compact objects. In this review, we discuss theoretical models of globular cluster evolution and binary evolution, techniques for simulating this evolution that leads to relativistic binaries, and current and possible future observational evidence for this population. Our discussion of globular cluster evolution will focus on the processes that boost the production of tight binary systems and the subsequent interaction of these binaries that can alter the properties of both bodies and can lead to exotic objects. Direct N-body integrations and Fokker–Planck simulations of the evolution of globular clusters that incorporate tidal interactions and lead to predictions of relativistic binary populations are also discussed. We discuss the current observational evidence for cataclysmic variables, millisecond pulsars, and low-mass X-ray binaries as well as possible future detection of relativistic binaries with gravitational radiation.
Relativistic Tennis Using Flying Mirror
Pirozhkov, A. S.; Kando, M.; Esirkepov, T. Zh.; Ma, J.; Fukuda, Y.; Chen, L.-M.; Daito, I.; Ogura, K.; Homma, T.; Hayashi, Y.; Kotaki, H.; Sagisaka, A.; Mori, M.; Koga, J. K.; Kawachi, T.; Daido, H.; Bulanov, S. V.; Kimura, T.; Kato, Y.; Tajima, T.
2008-06-01
Upon reflection from a relativistic mirror, the electromagnetic pulse frequency is upshifted and the duration is shortened by the factor proportional to the relativistic gamma-factor squared due to the double Doppler effect. We present the results of the proof-of-principle experiment for frequency upshifting of the laser pulse reflected from the relativistic "flying mirror", which is a wake wave near the breaking threshold created by a strong driver pulse propagating in underdense plasma. Experimentally, the wake wave is created by a 2 TW, 76 fs Ti:S laser pulse from the JLITE-X laser system in helium plasma with the electron density of ≈4-6×1019 cm-3. The reflected signal is observed with a grazing-incidence spectrograph in 24 shots. The wavelength of the reflected radiation ranges from 7 to 14 nm, the corresponding frequency upshifting factors are ˜55-115, and the gamma-factors are y = 4-6. The reflected signal contains at least 3×107 photons/sr. This effect can be used to generate coherent high-frequency ultrashort pulses that inherit temporal shape and polarization from the original (low-frequency) ones. Apart from this, the reflected radiation contains important information about the wake wave itself, e.g. location, size, phase velocity, etc.
Magnetohydrodynamics of Chiral Relativistic Fluids
Boyarsky, Alexey; Ruchayskiy, Oleg
2015-01-01
We study the dynamics of a plasma of charged relativistic fermions at very high temperature $T\\gg m$, where $m$ is the fermion mass, coupled to the electromagnetic field. In particular, we derive a magneto-hydrodynamical description of the evolution of such a plasma. We show that, as compared to conventional MHD for a plasma of non-relativistic particles, the hydrodynamical description of the relativistic plasma involves new degrees of freedom described by a pseudo-scalar field originating in a local asymmetry in the densities of left-handed and right-handed fermions. This field can be interpreted as an effective axion field. Taking into account the chiral anomaly we present dynamical equations for the evolution of this field, as well as of other fields appearing in the MHD description of the plasma. Due to its non-linear coupling to helical magnetic fields, the axion field significantly affects the dynamics of a magnetized plasma and can give rise to a novel type of inverse cascade.
S. E. Bauer
2008-10-01
Full Text Available A new aerosol microphysical module MATRIX, the Multiconfiguration Aerosol TRacker of mIXing state, and its application in the Goddard Institute for Space Studies (GISS climate model (ModelE are described. This module, which is based on the quadrature method of moments (QMOM, represents nucleation, condensation, coagulation, internal and external mixing, and cloud-drop activation and provides aerosol particle mass and number concentration and particle size information for up to 16 mixed-mode aerosol populations. Internal and external mixing among aerosol components sulfate, nitrate, ammonium, carbonaceous aerosols, dust and sea-salt particles are represented. The solubility of each aerosol population, which is explicitly calculated based on its soluble and insoluble components, enables calculation of the dependence of cloud drop activation on the microphysical characterization of multiple soluble aerosol populations.
A detailed model description and results of box-model simulations of various aerosol population configurations are presented. The box model experiments demonstrate the dependence of cloud activating aerosol number concentration on the aerosol population configuration; comparisons to sectional models are quite favorable. MATRIX is incorporated into the GISS climate model and simulations are carried out primarily to assess its performance/efficiency for global-scale atmospheric model application. Simulation results were compared with aircraft and station measurements of aerosol mass and number concentration and particle size to assess the ability of the new method to yield data suitable for such comparison. The model accurately captures the observed size distributions in the Aitken and accumulation modes up to particle diameter 1 μm, in which sulfate, nitrate, black and organic carbon are predominantly located; however the model underestimates coarse-mode number concentration and size, especially in the marine environment
Jadoon, K. Z.; Altaf, M. U.; McCabe, M. F.; Hoteit, I.; Moghadas, D.
2014-12-01
In arid and semi-arid regions, soil salinity has a major impact on agro-ecosystems, agricultural productivity, environment and sustainability. High levels of soil salinity adversely affect plant growth and productivity, soil and water quality, and may eventually result in soil erosion and land degradation. Being essentially a hazard, it's important to monitor and map soil salinity at an early stage to effectively use soil resources and maintain soil salinity level below the salt tolerance of crops. In this respect, low frequency electromagnetic induction (EMI) systems can be used as a noninvasive method to map the distribution of soil salinity at the field scale and at a high spatial resolution. In this contribution, an EMI system (the CMD Mini-Explorer) is used to estimate soil salinity using a Bayesian approach implemented via a Markov chain Monte Carlo (MCMC) sampling for inversion of multi-configuration EMI measurements. In-situ and EMI measurements were conducted across a farm where Acacia trees are irrigated with brackish water using a drip irrigation system. The electromagnetic forward model is based on the full solution of Maxwell's equation, and the subsurface is considered as a three-layer problem. In total, five parameters (electrical conductivity of three layers and thickness of top two layers) were inverted and modeled electrical conductivities were converted into the universal standard of soil salinity measurement (i.e. using the method of electrical conductivity of a saturated soil paste extract). Simulation results demonstrate that the proposed scheme successfully recovers soil salinity and reduces the uncertainties in the prior estimate. Analysis of the resulting posterior distribution of parameters indicates that electrical conductivity of the top two layers and the thickness of the first layer are well constrained by the EMI measurements. The proposed approach allows for quantitative mapping and monitoring of the spatial electrical conductivity
Bauer,S.E.; Wright, D.L.; Koch, D.; Lewis, E.R.; McGraw, R.; Chang, L.-S.; Schwartz, S.E.; Ruedy, R.
2008-10-21
A new aerosol microphysical module MATRIX, the Multiconfiguration Aerosol TRacker of mIXing state, and its application in the Goddard Institute for Space Studies (GISS) climate model (ModelE) are described. This module, which is based on the quadrature method of moments (QMOM), represents nucleation, condensation, coagulation, internal and external mixing, and cloud-drop activation and provides aerosol particle mass and number concentration and particle size information for up to 16 mixed-mode aerosol populations. Internal and external mixing among aerosol components sulfate, nitrate, ammonium, carbonaceous aerosols, dust and sea-salt particles are represented. The solubility of each aerosol population, which is explicitly calculated based on its soluble and insoluble components, enables calculation of the dependence of cloud drop activation on the microphysical characterization of multiple soluble aerosol populations. A detailed model description and results of box-model simulations of various aerosol population configurations are presented. The box model experiments demonstrate the dependence of cloud activating aerosol number concentration on the aerosol population configuration; comparisons to sectional models are quite favorable. MATRIX is incorporated into the GISS climate model and simulations are carried out primarily to assess its performance/efficiency for global-scale atmospheric model application. Simulation results were compared with aircraft and station measurements of aerosol mass and number concentration and particle size to assess the ability of the new method to yield data suitable for such comparison. The model accurately captures the observed size distributions in the Aitken and accumulation modes up to particle diameter 1 {micro}m, in which sulfate, nitrate, black and organic carbon are predominantly located; however the model underestimates coarse-mode number concentration and size, especially in the marine environment. This is more likely due
Guillemoteau, Julien; Tronicke, Jens
2017-04-01
Portable loop-loop electromagnetic induction (EMI) sensors using multiple coil configurations are of growing interest in hydrological, archaeological and agricultural studies for mapping the subsurface electrical conductivity. In contrast with EMI methods employing larger scale geometries (e.g., magnetotellurics, marine EM, airborne EM, transient EM, large offset loop-loop harmonic source EM), the portable EMI multi-configuration sensors operate in the low induction number (LIN) domain as they employ a rather low frequency harmonic source (< 20 kHz) and rather small coil separations (≤ 2 m). In the LIN domain, electrical conductivity has a minor effect on the forward modelling kernel. Accordingly, we have developed an algorithm to model this kind of data, which is based on a homogeneous half-space kernel. By formulating the problem in the hybrid spectral-spatial domain (kx, ky, z), we show that it is possible to generate large data maps containing more than 100,000 stations within a minute on a standard modern laptop computer. We compared this forward modelling approach to a robust approach based on the integral equation (IE) method. Our results show that, as long as the LIN approximation is fulfilled (i.e., for the system of interest, if the electrical conductivity is smaller than 0.5 S/m), the linear theory allows to accurately and robustly handle the structural characteristics of the subsurface conductivity distribution. We therefore expect that our forward modelling procedure can be implemented in rapid multi-channel deconvolution procedures in order to rapidly extract the structural properties of the subsurface conductivity distribution from data sets acquired across rather large (hectare scale) areas.
Relativistic effects in Lyman-alpha forest
Iršič, Vid; Viel, Matteo
2015-01-01
We present the calculation of the Lyman-alpha (Lyman-$\\alpha$) transmitted flux fluctuations with full relativistic corrections to the first order. Even though several studies exist on relativistic effects in galaxy clustering, this is the first study to extend the formalism to a different tracer of underlying matter at unique redshift range ($z = 2 - 5$). Furthermore, we show a comprehensive application of our calculations to the Quasar- Lyman-$\\alpha$ cross-correlation function. Our results indicate that the signal of relativistic effects can be as large as 30% at Baryonic Acoustic Oscillation (BAO) scale, which is much larger than anticipated and mainly due to the large differences in density bias factors of our tracers. We construct an observable, the anti-symmetric part of the cross- correlation function, that is dominated by the relativistic signal and offers a new way to measure the relativistic terms at relatively small scales. The analysis shows that relativistic effects are important when considerin...
Transverse relativistic effects in paraxial wave interference
Bliokh, Konstantin Y; Nori, Franco
2013-01-01
We consider relativistic deformations of interfering paraxial waves moving in the transverse direction. Owing to superluminal transverse phase velocities, noticeable deformations of the interference patterns arise when the waves move with respect to each other with non-relativistic velocities. Similar distortions also appear on a mutual tilt of the interfering waves, which causes a phase delay analogous to the relativistic time delay. We illustrate these observations by the interference between a vortex wave beam and a plane wave, which exhibits a pronounced deformation of the radial fringes into a fork-like pattern (relativistic Hall effect). Furthermore, we describe an additional relativistic motion of the interference fringes (a counter-rotation in the vortex case), which become noticeable at the same non-relativistic velocities.
Entropy current for non-relativistic fluid
Banerjee, Nabamita; Jain, Akash; Roychowdhury, Dibakar
2014-01-01
We study transport properties of a parity-odd, non-relativistic charged fluid in presence of background electric and magnetic fields. To obtain stress tensor and charged current for the non-relativistic system we start with the most generic relativistic fluid, living in one higher dimension and reduce the constituent equations along the light-cone direction. We also reduce the equation satisfied by the entropy current of the relativistic theory and obtain a consistent entropy current for the non-relativistic system (we call it "canonical form" of the entropy current). Demanding that the non-relativistic fluid satisfies the second law of thermodynamics we impose constraints on various first order transport coefficients. For parity even fluid, this is straight forward; it tells us positive definiteness of different transport coefficients like viscosity, thermal conductivity, electric conductivity etc. However for parity-odd fluid, canonical form of the entropy current fails to confirm the second law of thermody...
Non-Relativistic Spacetimes with Cosmological Constant
Aldrovandi, R.; Barbosa, A. L.; Crispino, L.C.B.; Pereira, J. G.
1998-01-01
Recent data on supernovae favor high values of the cosmological constant. Spacetimes with a cosmological constant have non-relativistic kinematics quite different from Galilean kinematics. De Sitter spacetimes, vacuum solutions of Einstein's equations with a cosmological constant, reduce in the non-relativistic limit to Newton-Hooke spacetimes, which are non-metric homogeneous spacetimes with non-vanishing curvature. The whole non-relativistic kinematics would then be modified, with possible ...
Relativistic non-equilibrium thermodynamics revisited
García-Colin, L S
2006-01-01
Relativistic irreversible thermodynamics is reformulated following the conventional approach proposed by Meixner in the non-relativistic case. Clear separation between mechanical and non-mechanical energy fluxes is made. The resulting equations for the entropy production and the local internal energy have the same structure as the non-relativistic ones. Assuming linear constitutive laws, it is shown that consistency is obtained both with the laws of thermodynamics and causality.
Analogy betwen dislocation creep and relativistic cosmology
J.A. Montemayor-Aldrete; J.D. Muñoz-Andrade; Mendoza-Allende, A.; Montemayor-Varela, A.
2005-01-01
A formal, physical analogy between plastic deformation, mainly dislocation creep, and Relativistic Cosmology is presented. The physical analogy between eight expressions for dislocation creep and Relativistic Cosmology have been obtained. By comparing the mathematical expressions and by using a physical analysis, two new equations have been obtained for dislocation creep. Also, four new expressions have been obtained for Relativistic Cosmology. From these four new equations, one may determine...
A relativistic correction to semiclassical charmonium
Weiss, J.
1995-09-01
It is shown that the relativistic linear potentials, introduced by the author within the particle à la Wheeler-Feynman direct-interaction (AAD) theory, applied to the semiclassically quantized charmonium, yield energy spectrum comparable to that of some known models. Using the expansion of the relativistic linear AAD potentials in powers ofc -1, the charmonium spectrum, given as a rule by Bohr-Sommerfeld quantization of circular orbits, is extended up to the second order of relativistic corrections.
Generalized One-Dimensional Point Interaction in Relativistic and Non-relativistic Quantum Mechanics
Shigehara, T; Mishima, T; Cheon, T; Cheon, Taksu
1999-01-01
We first give the solution for the local approximation of a four parameter family of generalized one-dimensional point interactions within the framework of non-relativistic model with three neighboring $\\delta$ functions. We also discuss the problem within relativistic (Dirac) framework and give the solution for a three parameter family. It gives a physical interpretation for so-called high energy substantially differ between non-relativistic and relativistic cases.
Bauschlicher, C. W., Jr.; Silver, D. M.; Yarkony, D. R.
1980-01-01
The paper presents the multiconfiguration-self-consistent (MCSCF) and configuration state functions (CSF) for the low-lying electronic states of MgO. It was shown that simple description of these states was possible provided the 1 Sigma(+) states are individually optimized at the MCSCF level, noting that the 1(3 Sigma)(+) and 2(1 Sigma)(+) states which nominally result from the same electron occupation are separated energetically. The molecular orbitals obtained at this level of approximation should provide a useful starting point for extended configuration interaction calculations since they have been optimized for the particular states of interest.
KAUSHIK MAJI
2016-08-01
We propose a variant of the multiconfiguration time-dependent Hartree (MCTDH) method within the framework of Hermite-distributed approximating functional (HDAF) method. The discretized Hamiltonian is a highly banded Toeplitz matrix which significantly reduces computational cost in terms of both storage and number of operations. The method proposed is employed to carry out the study of tunnelling dynamics of two coupled double well oscillators. We have calculated the orthogonality time \\tau , which is a measure of the time interval for an initial state to evolve into its orthogonal state. It is observed that the coupling has a significant effect on \\tau .
Triki, A.; Rziga Ouaja, F.; Selmi, A. [Dept. de Physique, Faculte des Sciences, Monastir (Tunisia); Mejri, H. [Dept. de Physique, Faculte des Sciences, Monastir (Tunisia)
2001-10-01
Two statistics are developed using the multiconfigurate character of the DX center to analyse donors in n-type Al{sub x}Ga{sub 1-x}As:Si. The first statistics is derived assuming that the conduction electrons arise exclusively from DX centers. The second statistics supposes the existence of shallow donors in addition to the deep DX center. Experimental Hall data, obtained in Al{sub x}Ga{sub 1-x}As:Si grown by metalorganic chemical vapor deposition, are interpreted using these statistical calculations. (orig.)
Bauschlicher, C. W., Jr.; Silver, D. M.; Yarkony, D. R.
1980-01-01
The paper presents the multiconfiguration-self-consistent (MCSCF) and configuration state functions (CSF) for the low-lying electronic states of MgO. It was shown that simple description of these states was possible provided the 1 Sigma(+) states are individually optimized at the MCSCF level, noting that the 1(3 Sigma)(+) and 2(1 Sigma)(+) states which nominally result from the same electron occupation are separated energetically. The molecular orbitals obtained at this level of approximation should provide a useful starting point for extended configuration interaction calculations since they have been optimized for the particular states of interest.
Tarumi, Moto; Kobayashi, Masato; Nakai, Hiromi
2012-11-13
The antisymmetric product of strongly orthogonal geminals (APSG) method is a wave function theory that can effectively treat the static electron correlation. Recently, we proposed the open-shell APSG method using one-electron orbitals for open-shell parts. In this paper, we have extended the perturbation correction to the open-shell APSG calculations through Møller-Plesset-type multiconfiguration perturbation theory (MP-MCPT). Numerical applications demonstrate that the present open-shell MP-MCPT can reasonably reproduce the dissociation energies or equilibrium distances for open-shell systems.
Zhou, Fuyang; Li, Jiguang; Wang, Jianguo
2015-01-01
The multi-configuration Dirac-Hartree-Fock method was employed to calculate the total and excitation energies, oscillator strengths and hyperfine structure constants for low-lying levels of Sm I. In the first-order perturbation approximation, we systematically analyzed correlation effects from each electrons and electron pairs. It was found that the core correlations are of importance for physical quantities concerned. Based on the analysis, the important configuration state wave functions were selected to constitute atomic state wave functions. By using this computational model, our excitation energies, oscillator strengths, and hyperfine structure constants are in better agreement with experimental values than earlier theoretical works.
Relativistic Cyclotron Instability in Anisotropic Plasmas
López, Rodrigo A.; Moya, Pablo S.; Navarro, Roberto E.; Araneda, Jaime A.; Muñoz, Víctor; Viñas, Adolfo F.; Alejandro Valdivia, J.
2016-11-01
A sufficiently large temperature anisotropy can sometimes drive various types of electromagnetic plasma micro-instabilities, which can play an important role in the dynamics of relativistic pair plasmas in space, astrophysics, and laboratory environments. Here, we provide a detailed description of the cyclotron instability of parallel propagating electromagnetic waves in relativistic pair plasmas on the basis of a relativistic anisotropic distribution function. Using plasma kinetic theory and particle-in-cell simulations, we study the influence of the relativistic temperature and the temperature anisotropy on the collective and noncollective modes of these plasmas. Growth rates and dispersion curves from the linear theory show a good agreement with simulations results.
Do non-relativistic neutrinos oscillate?
Akhmedov, Evgeny
2017-07-01
We study the question of whether oscillations between non-relativistic neutrinos or between relativistic and non-relativistic neutrinos are possible. The issues of neutrino production and propagation coherence and their impact on the above question are discussed in detail. It is demonstrated that no neutrino oscillations can occur when neutrinos that are non-relativistic in the laboratory frame are involved, except in a strongly mass-degenerate case. We also discuss how this analysis depends on the choice of the Lorentz frame. Our results are for the most part in agreement with Hinchliffe's rule.
Geometric Models of the Relativistic Harmonic Oscillator
Cotaescu, I I
1997-01-01
A family of relativistic geometric models is defined as a generalization of the actual anti-de Sitter (1+1) model of the relativistic harmonic oscillator. It is shown that all these models lead to the usual harmonic oscillator in the non-relativistic limit, even though their relativistic behavior is quite different. Among quantum models we find a set of models with countable energy spectra, and another one having only a finite number of energy levels and in addition a continuous spectrum.
Relativistic and non-relativistic solitons in plasmas
Barman, Satyendra Nath
This thesis entitled as "Relativistic and Non-relativistic Solitons in Plasmas" is the embodiment of a number of investigations related to the formation of ion-acoustic solitary waves in plasmas under various physical situations. The whole work of the thesis is devoted to the studies of solitary waves in cold and warm collisionless magnetized or unmagnetized plasmas with or without relativistic effect. To analyze the formation of solitary waves in all our models of plasmas, we have employed two established methods namely - reductive perturbation method to deduce the Korteweg-de Vries (KdV) equation, the solutions of which represent the important but near exact characteristic concepts of soliton-physics. Next, the pseudopotential method to deduce the energy integral with total nonlinearity in the coupling process for exact characteristic results of solitons has been incorporated. In Chapter 1, a brief description of plasma in nature and laboratory and its generation are outlined elegantly. The nonlinear differential equations to characterize solitary waves and the relevant but important methods of solutions have been mentioned in this chapter. The formation of solitary waves in unmagnetized and magnetized plasmas, and in relativistic plasmas has been described through mathematical entity. Applications of plasmas in different fields are also put forwarded briefly showing its importance. The study of plasmas as they naturally occur in the universe encompasses number of topics including sun's corona, solar wind, planetary magnetospheres, ionospheres, auroras, cosmic rays and radiation. The study of space weather to understand the universe, communications and the activities of weather satellites are some useful areas of space plasma physics. The surface cleaning, sterilization of food and medical appliances, killing of bacteria on various surfaces, destroying of viruses, fungi, spores and plasma coating in industrial instruments ( like computers) are some of the fields
Relativistic Corrections to the Bohr Model of the Atom
Kraft, David W.
1974-01-01
Presents a simple means for extending the Bohr model to include relativistic corrections using a derivation similar to that for the non-relativistic case, except that the relativistic expressions for mass and kinetic energy are employed. (Author/GS)
Konecny, Lukas; Kadek, Marius; Komorovsky, Stanislav; Malkina, Olga L; Ruud, Kenneth; Repisky, Michal
2016-12-13
The Liouville-von Neumann equation based on the four-component matrix Dirac-Kohn-Sham Hamiltonian is transformed to a quasirelativistic exact two-component (X2C) form and then used to solve the time evolution of the electronic states only. By this means, a significant acceleration by a factor of 7 or more has been achieved. The transformation of the original four-component equation of motion is formulated entirely in matrix algebra, following closely the X2C decoupling procedure of Ilias and Saue [ J. Chem. Phys. 2007 , 126 , 064102 ] proposed earlier for a static (time-independent) case. In a dynamic (time-dependent) regime, however, an adiabatic approximation must in addition be introduced in order to preserve the block-diagonal form of the time-dependent Dirac-Fock operator during the time evolution. The resulting X2C Liouville-von Neumann electron dynamics (X2C-LvNED) is easy to implement as it does not require an explicit form of the picture-change transformed operators responsible for the (higher-order) relativistic corrections and/or interactions with external fields. To illustrate the accuracy and performance of the method, numerical results and computational timings for nonlinear optical properties are presented. All of the time domain X2C-LvNED results show excellent agreement with the reference four-component calculations as well as with the results obtained from frequency domain response theory.
Magnetogenesis through Relativistic Velocity Shear
Miller, Evan
Magnetic fields at all scales are prevalent in our universe. However, current cosmological models predict that initially the universe was bereft of large-scale fields. Standard magnetohydrodynamics (MHD) does not permit magnetogenesis; in the MHD Faraday's law, the change in magnetic field B depends on B itself. Thus if B is initially zero, it will remain zero for all time. A more accurate physical model is needed to explain the origins of the galactic-scale magnetic fields observed today. In this thesis, I explore two velocity-driven mechanisms for magnetogenesis in 2-fluid plasma. The first is a novel kinematic 'battery' arising from convection of vorticity. A coupling between thermal and plasma oscillations, this non-relativistic mechanism can operate in flows that are incompressible, quasi-neutral and barotropic. The second mechanism results from inclusion of thermal effects in relativistic shear flow instabilities. In such flows, parallel perturbations are ubiquitously unstable at small scales, with growth rates of order with the plasma frequency over a defined range of parameter-space. Of these two processes, instabilities seem far more likely to account for galactic magnetic fields. Stable kinematic effects will, at best, be comparable to an ideal Biermann battery, which is suspected to be orders of magnitude too weak to produce the observed galactic fields. On the other hand, instabilities grow until saturation is reached, a topic that has yet to be explored in detail on cosmological scales. In addition to investigating these magnetogenesis sources, I derive a general dispersion relation for three dimensional, warm, two species plasma with discontinuous shear flow. The mathematics of relativistic plasma, sheared-flow instability and the Biermann battery are also discussed.
Relativistic Plasma Polarizer: Impact of Temperature Anisotropy on Relativistic Transparency
Hazeltine, R. D.; Stark, David J.; Bhattacharjee, Chinmoy; Arefiev, Alexey V.; Toncian, Toma; Mahajan, S. M.
2015-11-01
3D particle-in-cell simulations demonstrate that the enhanced transparency of a relativistically hot plasma is sensitive to how the energy is partitioned between different degrees of freedom. We consider here the simplest problem: the propagation of a low amplitude pulse through a preformed relativistically hot anisotropic electron plasma to explore its intrinsic dielectric properties. We find that: 1) the critical density for propagation depends strongly on the pulse polarization, 2) two plasmas with the same density and average energy per electron can exhibit profoundly different responses to electromagnetic pulses, 3) the anisotropy-driven Weibel instability develops as expected; the timescales of the growth and back reaction (on anisotropy), however, are long enough that sufficient anisotropy persists for the entire duration of the simulation. This plasma can then function as a polarizer or a wave plate to dramatically alter the pulse polarization. This work was supported by the U.S. DOE Contract Nos. DE-FG02-04ER54742 and DE-AC05-06OR23100 (D. J. S.) and NNSA Contract No. DE-FC52-08NA28512.
Spectral line shifts of alkali atoms in liquid helium: a relativistic density functional approach
Anton, J [Universitaet Kassel, Institut fuer Physik, 34109 Kassel (Germany); Mukherjee, P K [Indian Association for the Cultivation of Science, Jadavpur, Kolkata-700 032 (India); Fricke, B [Universitaet Kassel, Institut fuer Physik, 34109 Kassel (Germany); Fritzsche, S [Universitaet Kassel, Institut fuer Physik, 34109 Kassel (Germany)
2007-06-28
Excitation line shifts of the principal resonance transitions in alkali atoms sodium and cesium embedded inside the liquid helium environment have been calculated using four-component relativistic density functional theory. The effect of the liquid helium environment is assumed to be represented by a cluster of 14 atoms surrounding the central alkali atom. The estimated blue shift of the principal resonance line {sup 2}S {yields}{sup 2}P is 22.8 nm for Na and 16.7 nm for Cs. The result for Cs is in good agreement with the experimental shift of 18.2 nm. In the absence of the experimental data for Na, our result is compared with those of other theoretical estimates.
Olejniczak, Malgorzata; Gomes, Andre Severo Pereira
2016-01-01
We report an implementation of the nuclear magnetic resonance (NMR) shielding ($\\sigma$), isotope-independent indirect spin-spin coupling ($K$) and the magnetizability ($\\xi$) tensors in the frozen density embedding (FDE) scheme using the four-component (4c) relativistic Dirac--Coulomb (DC) Hamiltonian and the non-collinear spin density functional theory (SDFT). The formalism takes into account the magnetic balance between the large and the small components of molecular spinors and assures the gauge-origin independence of NMR shielding and magnetizability results. This implementation has been applied to hydrogen-bonded HXH$\\cdots$OH$_2$ complexes (X = Se, Te, Po) and compared with the supermolecular calculations and with the approach based on the integration of the magnetically induced current density vector. A comparison with the approximate Zeroth-Order Regular Approximation (ZORA) Hamiltonian indicates non-negligible differences in $\\sigma$ and $K$ in the HPoH$\\cdots$OH$_2$ complex, and calls for a thourou...
Gabriel, G. J.
1980-01-01
A new theorem on a class of four-dimensional skew-symmetric tensors is demonstrated. Coupled with the relativistic covariant form of Maxwell's equations, this theorem consolidates the classifications of guided waves by combining the three types - TE, TM, TEM - under a uniform condition applied to the generating four-potential which is Lorentz invariant. Each type corresponds to a potential of which a pair of the four components vanishes in a particular frame. Through appropriate normalization conditions, the resulting time-domain equations for the field amplitudes are readily reduced to modified telegraphist equations, which in turn lead to distributed network representations for each of the three types. The ambiguity of distributed network formalisms in general is elucidated and the concept of network parameter densities such as traditionally employed in TEM transmission line theory is questioned.
On the relativistic anisotropic configurations
Shojai, F. [University of Tehran, Department of Physics, Tehran (Iran, Islamic Republic of); Institute for Research in Fundamental Sciences (IPM), Foundations of Physics Group, School of Physics, Tehran (Iran, Islamic Republic of); Kohandel, M. [Alzahra University, Department of Physics and Chemistry, Tehran (Iran, Islamic Republic of); Stepanian, A. [University of Tehran, Department of Physics, Tehran (Iran, Islamic Republic of)
2016-06-15
In this paper we study anisotropic spherical polytropes within the framework of general relativity. Using the anisotropic Tolman-Oppenheimer-Volkov equations, we explore the relativistic anisotropic Lane-Emden equations. We find how the anisotropic pressure affects the boundary conditions of these equations. Also we argue that the behavior of physical quantities near the center of star changes in the presence of anisotropy. For constant density, a class of exact solution is derived with the aid of a new ansatz and its physical properties are discussed. (orig.)
Simple waves in relativistic fluids.
Lyutikov, Maxim
2010-11-01
We consider the Riemann problem for relativistic flows of polytropic fluids and find relations for the flow characteristics. Evolution of physical quantities takes especially simple form for the case of cold magnetized plasmas. We find exact explicit analytical solutions for one-dimensional expansion of magnetized plasma into vacuum, valid for arbitrary magnetization. We also consider expansion into cold unmagnetized external medium both for stationary initial conditions and for initially moving plasma, as well as reflection of rarefaction wave from a wall. We also find self-similar structure of three-dimensional magnetized outflows into vacuum, valid close to the plasma-vacuum interface.
Observation of relativistic antihydrogen atoms
Blanford, Glenn Delfosse, Jr.
1997-09-01
An observation of relativistic antihydrogen atoms is reported in this dissertation. Experiment 862 at Fermi National Accelerator Laboratory observed antihydrogen atoms produced by the interaction of a circulating beam of high momentum (3 production is outlined within. The cross section corresponds to the process where a high momentum antiproton causes e+e/sp- pair creation near a nucleus with the e+ being captured by the antiproton. Antihydrogen is the first atom made exclusively of antimatter to be detected. The observation experiment's results are the first step towards an antihydrogen spectroscopy experiment which would measure the n = 2 Lamb shift and fine structure.
Einstein Toolkit for Relativistic Astrophysics
Collaborative Effort
2011-02-01
The Einstein Toolkit is a collection of software components and tools for simulating and analyzing general relativistic astrophysical systems. Such systems include gravitational wave space-times, collisions of compact objects such as black holes or neutron stars, accretion onto compact objects, core collapse supernovae and Gamma-Ray Bursts. The Einstein Toolkit builds on numerous software efforts in the numerical relativity community including CactusEinstein, Whisky, and Carpet. The Einstein Toolkit currently uses the Cactus Framework as the underlying computational infrastructure that provides large-scale parallelization, general computational components, and a model for collaborative, portable code development.
Density perturbations with relativistic thermodynamics
Maartens, R
1997-01-01
We investigate cosmological density perturbations in a covariant and gauge- invariant formalism, incorporating relativistic causal thermodynamics to give a self-consistent description. The gradient of density inhomogeneities splits covariantly into a scalar part, a rotational vector part that is determined by the vorticity, and a tensor part that describes the shape. We give the evolution equations for these parts in the general dissipative case. Causal thermodynamics gives evolution equations for viswcous stress and heat flux, which are coupled to the density perturbation equation and to the entropy and temperature perturbation equations. We give the full coupled system in the general dissipative case, and simplify the system in certain cases.
Thermodynamics of polarized relativistic matter
Kovtun, Pavel
2016-07-01
We give the free energy of equilibrium relativistic matter subject to external gravitational and electromagnetic fields, to one-derivative order in the gradients of the external fields. The free energy allows for a straightforward derivation of bound currents and bound momenta in equilibrium. At leading order, the energy-momentum tensor admits a simple expression in terms of the polarization tensor. Beyond the leading order, electric and magnetic polarization vectors are intrinsically ambiguous. The physical effects of polarization, such as the correlation between the magneto-vortically induced surface charge and the electro-vortically induced surface current, are not ambiguous.
Thermodynamics of polarized relativistic matter
Kovtun, Pavel
2016-01-01
We give the free energy of equilibrium relativistic matter subject to external gravitational and electromagnetic fields, to one-derivative order in the gradients of the external fields. The free energy allows for a straightforward derivation of bound currents and bound momenta in equilibrium. At leading order, the energy-momentum tensor admits a simple expression in terms of the polarization tensor. Beyond the leading order, electric and magnetic polarization vectors are intrinsically ambiguous. The physical effects of polarization, such as the correlation between the magneto-vortically induced surface charge and the electro-vortically induced surface current, are not ambiguous.
Relativistic solitons and superluminal signals
Maccari, Attilio [Technical Institute ' G. Cardano' , Piazza della Resistenza 1, Monterotondo, Rome 00015 (Italy)]. E-mail: solitone@yahoo.it
2005-02-01
Envelope solitons in the weakly nonlinear Klein-Gordon equation in 1 + 1 dimensions are investigated by the asymptotic perturbation (AP) method. Two different types of solitons are possible according to the properties of the dispersion relation. In the first case, solitons propagate with the group velocity (less than the light speed) of the carrier wave, on the contrary in the second case solitons always move with the group velocity of the carrier wave, but now this velocity is greater than the light speed. Superluminal signals are then possible in classical relativistic nonlinear field equations.
Meng, Qingyong; Meyer, Hans-Dieter
2017-05-01
To study the scattering of CO off a movable Cu(100) surface, extensive multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) calculations are performed based on the SAP [R. Marquardt et al., J. Chem. Phys. 132, 074108 (2010)] potential energy surface in conjunction with a recently developed expansion model [Q. Meng and H.-D. Meyer, J. Chem. Phys. 143, 164310 (2015)] for including lattice motion. The surface vibration potential is constructed by a sum of Morse potentials where the parameters are determined by simulating the vibrational energies of a clean Cu(100) surface. Having constructed the total Hamiltonian, extensive dynamical calculations in both time-independent and time-dependent schemes are performed. Two-layer MCTDH (i.e., normal MCTDH) block-improved-relaxations (time-independent scheme) show that increasing the number of included surface vibrational dimensions lets the vibrational energies of CO/Cu(100) decrease for the frustrated translation (T mode), which is of low energy but increase those of the frustrated rotation (R mode) and the CO-Cu stretch (S mode), whose vibrational energies are larger than the energies of the in-plane surface vibrations (˜79 cm-1). This energy-shifting behavior was predicted and discussed by a simple model in our previous publication [Q. Meng and H.-D. Meyer, J. Chem. Phys. 143, 164310 (2015)]. By the flux analysis of the MCTDH/ML-MCTDH propagated wave packets, we calculated the sticking probabilities for the X + 0D, X + 1D, X + 3D, X + 5D, and X + 15D systems, where "X" stands for the used dimensionality of the CO/rigid-surface system and the second entry denotes the number of surface degrees of freedom included. From these sticking probabilities, the X + 5D/15D calculations predict a slower decrease of sticking with increasing energy as compared to the sticking of the X + 0D/1D/3D calculations. This is because the translational energy of CO is more easily transferred to surface vibrations, when the vibrational
Naeimi, Hossein; Didar, Asieh
2017-06-01
A simple, efficient and green method for the synthesis of pyrido[2,3-d:6,5-d‧]dipyrimidine derivatives via one-pot four-component reaction of aromatic aldehyde, 2-thiobarbituric acid, ammonium acetate in the presence of catalytic amount of a magnetically heterogeneous catalyst has been developed. This protocol includes some important advantages such as; high to excellent product yields, high atom economy, usage of water as a green reaction medium, reusability of catalyst, and simple work-up procedure.
Ruud, Kenneth; Demissie, Taye B.; Jaszuński, Michał
2014-05-01
We present an analysis of the spin-rotation and absolute shielding constants of XF6 molecules (X = S, Se, Te, Mo, W) based on ab initio coupled cluster and four-component relativistic density-functional theory (DFT) calculations. The results show that the relativistic contributions to the spin-rotation and shielding constants are large both for the heavy elements as well as for the fluorine nuclei. In most cases, incorporating the computed relativistic corrections significantly improves the agreement between our results and the well-established experimental values for the isotropic spin-rotation constants and their anisotropic components. This suggests that also for the other molecules, for which accurate and reliable experimental data are not available, reliable values of spin-rotation and absolute shielding constants were determined combining ab initio and relativistic DFT calculations. For the heavy nuclei, the breakdown of the relationship between the spin-rotation constant and the paramagnetic contribution to the shielding constant, due to relativistic effects, causes a significant error in the total absolute shielding constants.
Ruud, Kenneth [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø—The Arctic University of Norway, N-9037 Tromsø (Norway); Demissie, Taye B. [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø—The Arctic University of Norway, N-9037 Tromsø (Norway); Institute of Physical Chemistry, Polish Academy of Sciences, 01-224 Warszawa, Kasprzaka 44 (Poland); Jaszuński, Michał, E-mail: michal.jaszunski@icho.edu.pl [Institute of Organic Chemistry, Polish Academy of Sciences, 01-224 Warszawa, Kasprzaka 44 (Poland)
2014-05-21
We present an analysis of the spin–rotation and absolute shielding constants of XF{sub 6} molecules (X = S, Se, Te, Mo, W) based on ab initio coupled cluster and four-component relativistic density-functional theory (DFT) calculations. The results show that the relativistic contributions to the spin–rotation and shielding constants are large both for the heavy elements as well as for the fluorine nuclei. In most cases, incorporating the computed relativistic corrections significantly improves the agreement between our results and the well-established experimental values for the isotropic spin–rotation constants and their anisotropic components. This suggests that also for the other molecules, for which accurate and reliable experimental data are not available, reliable values of spin–rotation and absolute shielding constants were determined combining ab initio and relativistic DFT calculations. For the heavy nuclei, the breakdown of the relationship between the spin–rotation constant and the paramagnetic contribution to the shielding constant, due to relativistic effects, causes a significant error in the total absolute shielding constants.
Ghosh, Soumen; Sonnenberger, Andrew L; Hoyer, Chad E; Truhlar, Donald G; Gagliardi, Laura
2015-08-11
The correct description of charge transfer in ground and excited states is very important for molecular interactions, photochemistry, electrochemistry, and charge transport, but it is very challenging for Kohn-Sham (KS) density functional theory (DFT). KS-DFT exchange-correlation functionals without nonlocal exchange fail to describe both ground- and excited-state charge transfer properly. We have recently proposed a theory called multiconfiguration pair-density functional theory (MC-PDFT), which is based on a combination of multiconfiguration wave function theory with a new type of density functional called an on-top density functional. Here we have used MC-PDFT to study challenging ground- and excited-state charge-transfer processes by using on-top density functionals obtained by translating KS exchange-correlation functionals. For ground-state charge transfer, MC-PDFT performs better than either the PBE exchange-correlation functional or CASPT2 wave function theory. For excited-state charge transfer, MC-PDFT (unlike KS-DFT) shows qualitatively correct behavior at long-range with great improvement in predicted excitation energies.
Bolsinger, V. J.; Krönke, S.; Schmelcher, P.
2017-02-01
Exploring the impact of dimensionality on the quantum dynamics of interacting bosons in traps including particle correlations is an interesting but challenging task. Due to the different participating length scales, the modelling of the short-range interactions in three dimensions plays a special role. We review different approaches for the latter and elaborate that for multi-configurational computational strategies, finite-range potentials are adequate resulting in the need for large grids to resolve the relevant length scales. This results in computational challenges, which include the exponential scaling of complexity with the number of atoms. We show that the recently developed ab initio multi-layer multi-configurational time-dependent Hartee method for bosons (ML-MCTDHB) (2013 J. Chem. Phys. 139 134103) can face both numerical challenges and present an efficient numerical implementation of ML-MCTDHB in three spatial dimensions, particularly suited to describe the quantum dynamics for elongated traps. The beneficial scaling of our approach is demonstrated by studying the tunnelling dynamics of bosonic ensembles in a double well. Comparing three-dimensional with quasi-one dimensional simulations, we find dimensionality-induced effects in the density. Furthermore, we study the crossover from weak transversal confinement, where a mean-field description of the system is sufficient, towards tight transversal confinement, where particle correlations and beyond mean-field effects are pronounced.
Relativistic suppression of wave packet spreading.
Su, Q; Smetanko, B; Grobe, R
1998-03-30
We investigate numerically the solution of Dirac equation and analytically the Klein-Gordon equation and discuss the relativistic motion of an electron wave packet in the presence of an intense static electric field. In contrast to the predictions of the (non-relativistic) Schroedinger theory, the spreading rate in the field's polarization direction as well as in the transverse directions is reduced.
Magnetism and rotation in relativistic field theory
Mameda, Kazuya; Yamamoto, Arata
2016-09-01
We investigate the analogy between magnetism and rotation in relativistic theory. In nonrelativistic theory, the exact correspondence between magnetism and rotation is established in the presence of an external trapping potential. Based on this, we analyze relativistic rotation under external trapping potentials. A Landau-like quantization is obtained by considering an energy-dependent potential.
Relativistic heavy-ion physics: Experimental overview
Itzhak Tserruya
2003-04-01
The ﬁeld of relativistic heavy-ion physics is reviewed with emphasis on new results and highlights from the ﬁrst run of the relativistic heavy-ion collider at BNL and the 15 year research programme at the super proton synchrotron (SPS) at CERN and the AGS at BNL.
Physico-mathematical foundations of relativistic cosmology
Soares, Domingos
2013-01-01
I briefly present the foundations of relativistic cosmology, which are, General Relativity Theory and the Cosmological Principle. I discuss some relativistic models, namely, "Einstein static universe" and "Friedmann universes". The classical bibliographic references for the relevant tensorial demonstrations are indicated whenever necessary, although the calculations themselves are not shown.
Einstein Never Approved of Relativistic Mass
Hecht, Eugene
2009-01-01
During much of the 20th century it was widely believed that one of the significant insights of special relativity was "relativistic mass." Today there are two schools on that issue: the traditional view that embraces speed-dependent "relativistic mass," and the more modern position that rejects it, maintaining that there is only one mass and it's…
General relativistic Boltzmann equation, I: Covariant treatment
Debbasch, F.; van Leeuwen, W.A.
2009-01-01
This series of two articles aims at dissipating the rather dense haze existing in the present literature around the General Relativistic Boltzmann equation. In this first article, the general relativistic one-particle distribution function in phase space is defined as an average of delta functions.
Critique of Conventional Relativistic Quantum Mechanics.
Fanchi, John R.
1981-01-01
Following an historical sketch of the development of relativistic quantum mechanics, a discussion of the still unresolved difficulties of the currently accepted theories is presented. This review is designed to complement and update the discussion of relativistic quantum mechanics presented in many texts used in college physics courses. (Author/SK)
Lattice Boltzmann equation for relativistic quantum mechanics.
Succi, Sauro
2002-03-15
Relativistic versions of the quantum lattice Boltzmann equation are discussed. It is shown that the inclusion of nonlinear interactions requires the standard collision operator to be replaced by a pair of dynamic fields coupling to the relativistic wave function in a way which can be described by a multicomponent complex lattice Boltzmann equation.
Relativistic electron beams above thunderclouds
M. Füllekrug
2011-08-01
Full Text Available Non-luminous relativistic electron beams above thunderclouds have been detected by the radio signals of low frequency ∼40–400 kHz which they radiate. The electron beams occur ∼2–9 ms after positive cloud-to-ground lightning discharges at heights between ∼22–72 km above thunderclouds. Intense positive lightning discharges can also cause sprites which occur either above or prior to the electron beam. One electron beam was detected without any luminous sprite which suggests that electron beams may also occur independently of sprites. Numerical simulations show that beams of electrons partially discharge the lightning electric field above thunderclouds and thereby gain a mean energy of ∼7 MeV to transport a total charge of ∼−10 mC upwards. The impulsive current ∼3 × 10^{−3} Am^{−2} associated with relativistic electron beams above thunderclouds is directed downwards and needs to be considered as a novel element of the global atmospheric electric circuit.
Ponderomotive Acceleration by Relativistic Waves
Lau, Calvin; Yeh, Po-Chun; Luk, Onnie; McClenaghan, Joseph; Ebisuzaki, Toshikazu; Tajima, Toshiki
2014-01-01
In the extreme high intensity regime of electromagnetic (EM) waves in plasma, the acceleration process is found to be dominated by the ponderomotive acceleration (PA). While the wakefields driven by the ponderomotive force of the relativistic intensity EM waves are important, they may be overtaken by the PA itself in the extreme high intensity regime when the dimensionless vector potential $a_0$ of the EM waves far exceeds unity. The energy gain by this regime (in 1D) is shown to be (approximately) proportional to $a_0^2$. Before reaching this extreme regime, the coexistence of the PA and the wakefield acceleration (WA) is observed where the wave structures driven by the wakefields show the phenomenon of multiple and folded wave-breakings. Investigated are various signatures of the acceleration processes such as the dependence on the mass ratio for the energy gain as well as the energy spectral features. The relevance to high energy cosmic ray acceleration and to the relativistic laser acceleration is conside...
Single electron relativistic clock interferometer
Bushev, P. A.; Cole, J. H.; Sholokhov, D.; Kukharchyk, N.; Zych, M.
2016-09-01
Although time is one of the fundamental notions in physics, it does not have a unique description. In quantum theory time is a parameter ordering the succession of the probability amplitudes of a quantum system, while according to relativity theory each system experiences in general a different proper time, depending on the system's world line, due to time dilation. It is therefore of fundamental interest to test the notion of time in the regime where both quantum and relativistic effects play a role, for example, when different amplitudes of a single quantum clock experience different magnitudes of time dilation. Here we propose a realization of such an experiment with a single electron in a Penning trap. The clock can be implemented in the electronic spin precession and its time dilation then depends on the radial (cyclotron) state of the electron. We show that coherent manipulation and detection of the electron can be achieved already with present day technology. A single electron in a Penning trap is a technologically ready platform where the notion of time can be probed in a hitherto untested regime, where it requires a relativistic as well as quantum description.
24-Hour Relativistic Bit Commitment
Verbanis, Ephanielle; Martin, Anthony; Houlmann, Raphaël; Boso, Gianluca; Bussières, Félix; Zbinden, Hugo
2016-09-01
Bit commitment is a fundamental cryptographic primitive in which a party wishes to commit a secret bit to another party. Perfect security between mistrustful parties is unfortunately impossible to achieve through the asynchronous exchange of classical and quantum messages. Perfect security can nonetheless be achieved if each party splits into two agents exchanging classical information at times and locations satisfying strict relativistic constraints. A relativistic multiround protocol to achieve this was previously proposed and used to implement a 2-millisecond commitment time. Much longer durations were initially thought to be insecure, but recent theoretical progress showed that this is not so. In this Letter, we report on the implementation of a 24-hour bit commitment solely based on timed high-speed optical communication and fast data processing, with all agents located within the city of Geneva. This duration is more than 6 orders of magnitude longer than before, and we argue that it could be extended to one year and allow much more flexibility on the locations of the agents. Our implementation offers a practical and viable solution for use in applications such as digital signatures, secure voting and honesty-preserving auctions.
Chaos and Maps in Relativistic Dynamical Systems
Horwitz, L P
1999-01-01
The basic work of Zaslavskii et al showed that the classical non-relativistic electromagnetically kicked oscillator can be cast into the form of an iterative map on the phase space; the resulting evolution contains a stochastic flow to unbounded energy. Subsequent studies have formulated the problem in terms of a relativistic charged particle in interaction with the electromagnetic field. We review the structure of the covariant Lorentz force used to study this problem. We show that the Lorentz force equation can be derived as well from the manifestly covariant mechanics of Stueckelberg in the presence of a standard Maxwell field, establishing a connection between these equations and mass shell constraints. We argue that these relativistic generalizations of the problem are intrinsically inaccurate due to an inconsistency in the structure of the relativistic Lorentz force, and show that a reformulation of the relativistic problem, permitting variations (classically) in both the particle mass and the effective...
Relativistic Particles in Clusters of Galaxies
Ensslin, T A
2002-01-01
A brief overview on the theory and observations of relativistic particle populations in clusters of galaxies is given. The following topics are addressed: (i) the diffuse relativistic electron population within the intra-cluster medium (ICM) as seen in the cluster wide radio halos and possibly also seen in the high energy X-ray and extreme ultraviolet excess emissions of some clusters, (ii) the observed confined relativistic electrons within fresh and old radio plasma and their connection to cluster radio relics at cluster merger shock waves, (iii) the relativistic proton population within the ICM, and its observable consequences (if it exists), and (iv) the confined relativistic proton population (if it exists) within radio plasma. The importance of upcoming, sensitive gamma-ray telescopes for this research area is highlighted.
Relativistic gas in a Schwarzschild metric
Kremer, Gilberto M
2013-01-01
A relativistic gas in a Schwarzschild metric is studied within the framework of a relativistic Boltzmann equation in the presence of gravitational fields, where Marle's model for the collision operator of the Boltzmann equation is employed. The transport coefficients of bulk and shear viscosities and thermal conductivity are determined from the Chapman-Enskog method. It is shown that the transport coefficients depend on the gravitational potential. Expressions for the transport coefficients in the presence of weak gravitational fields in the non-relativistic (low temperatures) and ultra-relativistic (high temperatures) limiting cases are given. Apart from the temperature gradient the heat flux has two relativistic terms. The first one, proposed by Eckart, is due to the inertia of energy and represents an isothermal heat flux when matter is accelerated. The other, suggested by Tolman, is proportional to the gravitational potential gradient and indicates that -- in the absence of an acceleration field -- a stat...
Relativistic recursion relations for transition matrix elements
Martínez y Romero, R P; Salas-Brito, A L
2004-01-01
We review some recent results on recursion relations which help evaluating arbitrary non-diagonal, radial hydrogenic matrix elements of $r^\\lambda$ and of $\\beta r^\\lambda$ ($\\beta$ a Dirac matrix) derived in the context of Dirac relativistic quantum mechanics. Similar recursion relations were derived some years ago by Blanchard in the non relativistic limit. Our approach is based on a generalization of the second hypervirial method previously employed in the non-relativistic Schr\\"odinger case. An extension of the relations to the case of two potentials in the so-called unshifted case, but using an arbitrary radial function instead of a power one, is also given. Several important results are obtained as special instances of our recurrence relations, such as a generalization to the relativistic case of the Pasternack-Sternheimer rule. Our results are useful in any atomic or molecular calculation which take into account relativistic corrections.
Relativistic Electrons in Electric Discharges
Cinar, Deniz
discharges as the source. The “Atmosphere-Space Interactions Monitor” (ASIM) for the International Space Station in 2016, led by DTU Space, and the French microsatellite TARANIS, also with launch in 2016, will identify with certainty the source of TGFs. In preparation for the missions, the Ph.D. project has...... developed a Monte Carlo module of a simulation code to model the formation of avalanches of electrons accelerated to relativistic energies, and the generation of bremsstrahlung through interactions with the neutral atmosphere. The code will be used in the analysis of data from the two space missions. We...... scattering. However, we only explored the properties of the complete number of photons reaching space, not the distribution at speci_c locations as in the case of a satellite. With this reservation we conclude that it is not possible to deduce much information from a satellite measurement of the photons...
Real vs. simulated relativistic jets
Gómez, J L; Agudo, I; Marscher, A P; Jorstad, S G; Aloy, M A
2005-01-01
Intensive VLBI monitoring programs of jets in AGN are showing the existence of intricate emission patterns, such as upstream motions or slow moving and quasi-stationary componentes trailing superluminal features. Relativistic hydrodynamic and emission simulations of jets are in very good agreement with these observations, proving as a powerful tool for the understanding of the physical processes taking place in the jets of AGN, microquasars and GRBs. These simulations show that the variability of the jet emission is the result of a complex combination of phase motions, viewing angle selection effects, and non-linear interactions between perturbations and the underlying jet and/or ambient medium. Both observations and simulations suggest that shock-in-jet models may be an overly simplistic idealization when interpreting the emission structure observed in actual jets.
Causal categories: relativistically interacting processes
Coecke, Bob
2011-01-01
A symmetric monoidal category naturally arises as the mathematical structure that organizes physical systems, processes, and composition thereof, both sequentially and in parallel. This structure admits a purely graphical calculus. This paper is concerned with the encoding of a fixed causal structure within a symmetric monoidal category: causal dependencies will correspond to topological connectedness in the graphical language. We show that correlations, either classical or quantum, force terminality of the tensor unit. We also show that well-definedness of the concept of a global state forces the monoidal product to be only partially defined, which in turn results in a relativistic covariance theorem. Except for these assumptions, at no stage do we assume anything more than purely compositional symmetric-monoidal categorical structure. We cast these two structural results in terms of a mathematical entity, which we call a `causal category'. We provide methods of constructing causal categories, and we study t...
Relativistic effects and quasipotential equations
Ramalho, G; Peña, M T
2002-01-01
We compare the scattering amplitude resulting from the several quasipotential equations for scalar particles. We consider the Blankenbecler-Sugar, Spectator, Thompson, Erkelenz-Holinde and Equal-Time equations, which were solved numerically without decomposition into partial waves. We analyze both negative-energy state components of the propagators and retardation effects. We found that the scattering solutions of the Spectator and the Equal-Time equations are very close to the nonrelativistic solution even at high energies. The overall relativistic effect increases with the energy. The width of the band for the relative uncertainty in the real part of the scattering $T$ matrix, due to different dynamical equations, is largest for backward-scattering angles where it can be as large as 40%.
Relativistic heavy-ion collisions
Bhalerao, Rajeev S
2014-01-01
The field of relativistic heavy-ion collisions is introduced to the high-energy physics students with no prior knowledge in this area. The emphasis is on the two most important observables, namely the azimuthal collective flow and jet quenching, and on the role fluid dynamics plays in the interpretation of the data. Other important observables described briefly are constituent quark number scaling, ratios of particle abundances, strangeness enhancement, and sequential melting of heavy quarkonia. Comparison is made of some of the basic heavy-ion results obtained at LHC with those obtained at RHIC. Initial findings at LHC which seem to be in apparent conflict with the accumulated RHIC data are highlighted.
General relativity and relativistic astrophysics
Mukhopadhyay, Banibrata
2016-01-01
Einstein established the theory of general relativity and the corresponding field equation in 1915 and its vacuum solutions were obtained by Schwarzschild and Kerr for, respectively, static and rotating black holes, in 1916 and 1963, respectively. They are, however, still playing an indispensable role, even after 100 years of their original discovery, to explain high energy astrophysical phenomena. Application of the solutions of Einstein's equation to resolve astrophysical phenomena has formed an important branch, namely relativistic astrophysics. I devote this article to enlightening some of the current astrophysical problems based on general relativity. However, there seem to be some issues with regard to explaining certain astrophysical phenomena based on Einstein's theory alone. I show that Einstein's theory and its modified form, both are necessary to explain modern astrophysical processes, in particular, those related to compact objects.
In search of relativistic time
Lachieze-Rey, Marc
2013-01-01
This paper explores the status of some notions which are usually associated to time, like datations, chronology, durations, causality, cosmic time and time functions in the Einsteinian relativistic theories. It shows how, even if some of these notions do exist in the theory or for some particular solution of it, they appear usually in mutual conflict: they cannot be synthesized coherently, and this is interpreted as the impossibility to construct a common entity which could be called time. This contrasts with the case in Newtonian physics where such a synthesis precisely constitutes Newtonian time. After an illustration by comparing the status of time in Einsteinian physics with that of the vertical direction in Newtonian physics, I will conclude that there is no pertinent notion of time in Einsteinian theories.
Playing relativistic billiards beyond graphene
Sadurni, E [Institut fuer Quantenphysik, Ulm Universitaet, Albert-Einstein Allee 11, 89081 Ulm (Germany); Seligman, T H [Centro Internacional de Ciencias A.C., Apartado Postal 6-101 C.P. 62131 Cuernavaca, Mor. (Mexico); Mortessagne, F, E-mail: esadurni@uni-ulm.d, E-mail: seligman@fis.unam.m, E-mail: fabrice.mortessagne@unice.f [Laboratoire de Physique de la Matiere Condensee, Universite de Nice-Sophia Antipolis, CNRS, UMR 6622 Parc Valrose, 06108 Nice cedex 2 (France)
2010-05-15
The possibility of using hexagonal structures in general, and graphene in particular, to emulate the Dirac equation is the topic under consideration here. We show that Dirac oscillators with or without rest mass can be emulated by distorting a tight-binding model on a hexagonal structure. In the quest to make a toy model for such relativistic equations, we first show that a hexagonal lattice of attractive potential wells would be a good candidate. Firstly, we consider the corresponding one-dimensional (1D) model giving rise to a 1D Dirac oscillator and then construct explicitly the deformations needed in the 2D case. Finally, we discuss how such a model can be implemented as an electromagnetic billiard using arrays of dielectric resonators between two conducting plates that ensure evanescent modes outside the resonators for transversal electric modes, and we describe a feasible experimental setup.
Playing relativistic billiards beyond graphene
Sadurní, E.; Seligman, T. H.; Mortessagne, F.
2010-05-01
The possibility of using hexagonal structures in general, and graphene in particular, to emulate the Dirac equation is the topic under consideration here. We show that Dirac oscillators with or without rest mass can be emulated by distorting a tight-binding model on a hexagonal structure. In the quest to make a toy model for such relativistic equations, we first show that a hexagonal lattice of attractive potential wells would be a good candidate. Firstly, we consider the corresponding one-dimensional (1D) model giving rise to a 1D Dirac oscillator and then construct explicitly the deformations needed in the 2D case. Finally, we discuss how such a model can be implemented as an electromagnetic billiard using arrays of dielectric resonators between two conducting plates that ensure evanescent modes outside the resonators for transversal electric modes, and we describe a feasible experimental setup.
Playing relativistic billiards beyond graphene
Sadurni, Emerson; Mortessagne, Fabrice
2010-01-01
The possibility of using hexagonal structures in general and graphene in particular to emulate the Dirac equation is the basis of our considerations. We show that Dirac oscillators with or without restmass can be emulated by distorting a tight binding model on a hexagonal structure. In a quest to make a toy model for such relativistic equations we first show that a hexagonal lattice of attractive potential wells would be a good candidate. First we consider the corresponding one-dimensional model giving rise to a one-dimensional Dirac oscillator, and then construct explicitly the deformations needed in the two-dimensional case. Finally we discuss, how such a model can be implemented as an electromagnetic billiard using arrays of dielectric resonators between two conducting plates that ensure evanescent modes outside the resonators for transversal electric modes, and describe an appropriate experimental setup.
Relativistic Kinetic Theory: An Introduction
Sarbach, Olivier
2013-01-01
We present a brief introduction to the relativistic kinetic theory of gases with emphasis on the underlying geometric and Hamiltonian structure of the theory. Our formalism starts with a discussion on the tangent bundle of a Lorentzian manifold of arbitrary dimension. Next, we introduce the Poincare one-form on this bundle, from which the symplectic form and a volume form are constructed. Then, we define an appropriate Hamiltonian on the bundle which, together with the symplectic form yields the Liouville vector field. The corresponding flow, when projected onto the base manifold, generates geodesic motion. Whenever the flow is restricted to energy surfaces corresponding to a negative value of the Hamiltonian, its projection describes a family of future-directed timelike geodesics. A collisionless gas is described by a distribution function on such an energy surface, satisfying the Liouville equation. Fibre integrals of the distribution function determine the particle current density and the stress-energy ten...
Some Surprises in Relativistic Gravity
Santos, N O
2016-01-01
General Relativity has had tremendous success both on the theoretical and the experimental fronts for over a century now. However, the contents of the theory are far from exhausted. Only very recently, with the detection of gravitational waves from colliding black holes, we have started probing the behavior of gravity in the strongly non-linear regime. Even today, the studies of black holes keep revealing more and more paradoxes and bizarre results. In this paper, inspired by David Hilbert's startling observation, we show that, contrary to the conventional wisdom, a freely falling test particle feels gravitational repulsion by a black hole as seen by the asymptotic observer. We dig deeper into this surprising behavior of relativistic gravity and offer some explanations.
Thermodynamic Laws and Equipartition Theorem in Relativistic Brownian Motion
Koide, T.; Kodama, T.
2011-01-01
We extend the stochastic energetics to a relativistic system. The thermodynamic laws and equipartition theorem are discussed for a relativistic Brownian particle and the first and the second law of thermodynamics in this formalism are derived. The relation between the relativistic equipartition relation and the rate of heat transfer is discussed in the relativistic case together with the nature of the noise term.
Thermodynamic laws and equipartition theorem in relativistic Brownian motion.
Koide, T; Kodama, T
2011-06-01
We extend the stochastic energetics to a relativistic system. The thermodynamic laws and equipartition theorem are discussed for a relativistic Brownian particle and the first and the second law of thermodynamics in this formalism are derived. The relation between the relativistic equipartition relation and the rate of heat transfer is discussed in the relativistic case together with the nature of the noise term.
Holographic Aspects of a Relativistic Nonconformal Theory
Chanyong Park
2013-01-01
Full Text Available We study a general D-dimensional Schwarzschild-type black brane solution of the Einstein-dilaton theory and derive, by using the holographic renormalization, its thermodynamics consistent with the geometric results. Using the membrane paradigm, we calculate the several hydrodynamic transport coefficients and compare them with the results obtained by the Kubo formula, which shows the self-consistency of the gauge/gravity duality in the relativistic nonconformal theory. In order to understand more about the relativistic non-conformal theory, we further investigate the binding energy, drag force, and holographic entanglement entropy of the relativistic non-conformal theory.
Relativistic MHD with Adaptive Mesh Refinement
Anderson, M; Liebling, S L; Neilsen, D; Anderson, Matthew; Hirschmann, Eric; Liebling, Steven L.; Neilsen, David
2006-01-01
We solve the relativistic magnetohydrodynamics (MHD) equations using a finite difference Convex ENO method (CENO) in 3+1 dimensions within a distributed parallel adaptive mesh refinement (AMR) infrastructure. In flat space we examine a Balsara blast wave problem along with a spherical blast wave and a relativistic rotor test both with unigrid and AMR simulations. The AMR simulations substantially improve performance while reproducing the resolution equivalent unigrid simulation results. We also investigate the impact of hyperbolic divergence cleaning for the spherical blast wave and relativistic rotor. We include unigrid and mesh refinement parallel performance measurements for the spherical blast wave.
Relativistic Electron Experiment for the Undergraduate Laboratory
Marvel, Robert E
2011-01-01
We have developed an undergraduate laboratory experiment to make independent measurements of the momentum and kinetic energy of relativistic electrons from a \\beta -source. The momentum measurements are made with a magnetic spectrometer and a silicon surface-barrier detector is used to measure the kinetic energy. A plot of the kinetic energy as a function of momentum compared to the classical and relativistic predictions clearly shows the relativistic nature of the electrons. Accurate values for the rest mass of the electron and the speed of light are also extracted from the data.
DYNAMICS OF RELATIVISTIC FLUID FOR COMPRESSIBLE GAS
无
2011-01-01
In this paper the relativistic fluid dynamics for compressible gas is studied.We show that the strict convexity of the negative thermodynamical entropy preserves invariant under the Lorentz transformation if and only if the local speed of sound in this gas is strictly less than that of light in the vacuum.A symmetric form for the equations of relativistic hydrodynamics is presented,and thus the local classical solutions to these equations can be deduced.At last,the non-relativistic limits of these local cla...
Relativistic equation-of-motion coupled-cluster method for the electron attachment problem
Pathak, Himadri; Nayak, Malaya K; Vaval, Nayana; Pal, Sourav
2016-01-01
The article considers the successful implementation of relativistic equation-of-motion coupled clus- ter method for the electron attachment problem (EA-EOMCC) at the level of single- and double- excitation approximation. The Dirac-Coulomb Hamiltonian is used to generate the single particle orbitals and two-body matrix elements. The implemented relativistic EA-EOMCC method is em- ployed to calculate ionization potential values of alkali metal atoms (Li, Na, K, Rb, Cs, Fr) and the vertical electron affinity values of LiX (X=H, F, Cl, Br), NaY (Y=H, F, Cl) starting from their closed-shell configuration. We have taken C 2 as an example to understand what should be the na- ture of the basis and cut off in the orbital energies that can be used for the correlation calculations without loosing a considerable amount of accuracy in the computed values. Both four-component and X2C calculations are done for all the opted systems to understand the effect of relativity in our calculations as well as to justify the fact tha...
Pireaux, S
2008-01-01
The Relativistic Motion Integrator (RMI) consists in integrating numerically the EXACT relativistic equations of motion, with respect to the appropriate gravitational metric, instead of Newtonian equations plus relativistic corrections. The aim of the present paper is to validate the method, and to illustrate how RMI can be used for space missions to produce relativistic ephemerides of satellites. Indeed, nowadays, relativistic effects have to be taken into account, and comparing a RMI ephemeris with a classical keplerian one helps to quantify such effects. LISA is a relevant example to use RMI. This mission is an interferometer formed by three spacecraft which aims at the detection of gravitational waves. Precise ephemerides of LISA spacecraft are needed not only for the sake of the orbitography but also to compute the photon flight time in laser links between spacecraft, required in LISA data pre-processing in order to reach the gravitational wave detection level. Relativistic effects in LISA orbitography n...
Nakano, Masahiko; Seino, Junji; Nakai, Hiromi
2017-05-01
We have derived and implemented a universal formulation of the second-order generalized Møller-Plesset perturbation theory (GMP2) for spin-dependent (SD) two-component relativistic many-electron Hamiltonians, such as the infinite-order Douglas-Kroll-Hess Hamiltonian for many-electron systems, which is denoted as IODKH/IODKH. Numerical assessments for He- and Ne-like atoms and 16 diatomic molecules show that the MP2 correlation energies with IODKH/IODKH agree well with those calculated with the four-component Dirac-Coulomb (DC) Hamiltonian, indicating a systematic improvement on the inclusion of relativistic two-electron terms. The present MP2 scheme for IODKH/IODKH is demonstrated to be computationally more efficient than that for DC.
Nandy, D K; Sahoo, B K
2014-01-01
We report the implementation of equation-of-motion coupled-cluster (EOMCC) method in the four-component relativistic framework with the spherical atomic potential to generate the excited states from a closed-shell atomic configuration. This theoretical development will be very useful to carry out high precision calculations of varieties of atomic properties in many atomic systems. We employ this method to calculate excitation energies of many low-lying states in a few Ne-like highly charged ions, such as Cr XV, Fe XVII, Co XVIII and Ni XIX ions, and compare them against their corresponding experimental values to demonstrate the accomplishment of the EOMCC implementation. The considered ions are apt to substantiate accurate inclusion of the relativistic effects in the evaluation of the atomic properties and are also interesting for the astrophysical studies. Investigation of the temporal variation of the fine structure constant (\\alpha) from the astrophysical observations is one of the modern research problems...
Relativistic elastic differential cross sections for equal mass nuclei
C.M. Werneth
2015-10-01
Full Text Available The effects of relativistic kinematics are studied for nuclear collisions of equal mass nuclei. It is found that the relativistic and non-relativistic elastic scattering amplitudes are nearly indistinguishable, and, hence, the relativistic and non-relativistic differential cross sections become indistinguishable. These results are explained by analyzing the Lippmann–Schwinger equation with the first order optical potential that was employed in the calculation.
Relativistic elastic differential cross sections for equal mass nuclei
Werneth, C.M., E-mail: charles.m.werneth@nasa.gov [NASA Langley Research Center, 2 West Reid Street, Hampton, VA 23681 (United States); Maung, K.M.; Ford, W.P. [The University of Southern Mississippi, 118 College Drive, Box 5046, Hattiesburg, MS 39406 (United States)
2015-10-07
The effects of relativistic kinematics are studied for nuclear collisions of equal mass nuclei. It is found that the relativistic and non-relativistic elastic scattering amplitudes are nearly indistinguishable, and, hence, the relativistic and non-relativistic differential cross sections become indistinguishable. These results are explained by analyzing the Lippmann–Schwinger equation with the first order optical potential that was employed in the calculation.
Artru, X. [Inst. de Physique Nucleaire, Lyon-1 Univ., 69 - Villeurbanne (France); Collaboration: IPN-Lyon, IRMM (Gell), LURE (Orsay); Collaboration: IPN-Lyon, LAL and IEF (Orsay), HIP (Helsinki), INFN (Frascati, Milan)
1998-12-31
We have studied different effects related to electromagnetic interaction of relativistic electrons in matter and investigated their use in beam profile measurements. (authors) 4 refs. Short communication
Effect of Oxidant on Mechanical Properties of Four Component HTPB Propellant%氧化剂对四组元HTPB推进剂力学性能的影响
祝世杰; 王菲; 范晓峰
2015-01-01
In order to explore the influence of oxidant on the mechanical properties of the four component HTPB composite solid propellant, the uniaxial tensile test results of HTPB propellant under the condition of 50℃, 20℃ and-40℃ were taken. The analysis results show that different oxidant, the same gradation of different batches and different curing time, have great influence on the mechanical properties of the four components of HTPB composite solid propellant, at the same time the crack of the propellant is mainly manifested in the oxide interface and the stress concentration is near the particle.%为了探寻氧化剂对四组元HTPB复合固体推进剂力学性能的影响方式和机理,采取对50℃、20℃和-40℃条件下的HTPB推进剂试件单轴拉伸试验结果和拉伸试件断面电镜照片对比分析方法.分析结果表明,氧化剂不同级配、相同级配不同批次及不同固化时间,对四组元HTPB复合固体推进剂相关力学性能有较大影响,同时推进剂的裂断主要表现在氧化剂界面的剥离,细氧化剂颗粒附近存在应力集中.
Carlson, Rebecca K; Truhlar, Donald G; Gagliardi, Laura
2015-09-08
We extend the on-top density functional of multiconfiguration pair-density functional theory (MC-PDFT) to include the gradient of the on-top density as well as the gradient of the density. We find that the theory is reasonably stable to this extension; furthermore, it provides improved accuracy for molecules containing transition metals. We illustrate the extended on-top density functionals by applying them to Cr2, Cu2, Ag2, Os2, and Re2Cl8(2-) as well as to our previous database of 56 data for bond dissociation energies, barrier heights, reaction energies, proton affinities, and the water dimer. The performance of MC-PDFT is comparable to or better than that of CASPT2.
Dombek, M. G.
1977-12-01
Energy curves are determined for the lowest singlet and triplet states of the HNO molecule. The geometry is varied in that the hydrogen moves through 13 positions around the NO core to describe the isomerization reaction HNO yields HON. Quantitatively determined are the stable and metastable equilibrium positions in both states, the energy differences between these two equilibrium positions and between the two states, and the barriers with respect to isomerization. The calculations are carried out using a novel configuration interaction approach called the Full Optimized Reaction Space method, which involves multiconfigurational self-consistent field calculations as an integral part. In order to interpret the bonding changes occurring during the reaction, a novel type of orbital is developed and calculated. These are called Directed Localized Reaction Orbitals. With their help it proves possible to give an interpretation of the isomerization in terms of concepts which fit chemical intuition.
Sato, Takeshi
2014-01-01
The time-dependent multiconfiguration self-consistent-field method based on the occupation-restricted multiple active space model is proposed (TD-ORMAS) for multielectron dynamics in intense laser fields. Extending the previously proposed time-dependent complete-active-space self-consistent-field method [TD-CASSCF; Phys. Rev. A, {\\bf 88}, 023402 (2013)], which divides the occupied orbitals into core and active orbitals, the TD-ORMAS method {\\it further} subdivides the active orbitals into an arbitrary number of subgroups, and poses the {\\it occupation restriction} by giving the minimum and maximum number of electrons distributed in each subgroup. This enables highly flexible construction of the configuration interaction (CI) space, allowing a large-active-space simulation of dynamics, e.g., the core excitation or ionization. The equations of motion both for CI coefficients and spatial orbitals are derived based on the time-dependent variational principle, and an efficient algorithm is proposed to solve for th...
Miranda, R. P.; Fisher, A. J.; Stella, L.; Horsfield, A. P.
2011-06-01
Conjugated polymers have attracted considerable attention in the last few decades due to their potential for optoelectronic applications. A key step that needs optimisation is charge carrier separation following photoexcitation. To understand better the dynamics of the exciton prior to charge separation, we have performed simulations of the formation and dynamics of localised excitations in single conjugated polymer strands. We use a nonadiabatic molecular dynamics method which allows for the coupled evolution of the nuclear degrees of freedom and of multiconfigurational electronic wavefunctions. We show the relaxation of electron-hole pairs to form excitons and oppositely charged polaron pairs and discuss the modifications to the relaxation process predicted by the inclusion of the Coulomb interaction between the carriers. The issue of charge photogeneration in conjugated polymers in dilute solution is also addressed.
Clumps in large scale relativistic jets
Tavecchio, F; Celotti, A
2003-01-01
The relatively intense X-ray emission from large scale (tens to hundreds kpc) jets discovered with Chandra likely implies that jets (at least in powerful quasars) are still relativistic at that distances from the active nucleus. In this case the emission is due to Compton scattering off seed photons provided by the Cosmic Microwave Background, and this on one hand permits to have magnetic fields close to equipartition with the emitting particles, and on the other hand minimizes the requirements about the total power carried by the jet. The emission comes from compact (kpc scale) knots, and we here investigate what we can predict about the possible emission between the bright knots. This is motivated by the fact that bulk relativistic motion makes Compton scattering off the CMB photons efficient even when electrons are cold or mildly relativistic in the comoving frame. This implies relatively long cooling times, dominated by adiabatic losses. Therefore the relativistically moving plasma can emit, by Compton sc...
General relativistic corrections and non-Gaussianity
Villa, Eleonora; Matarrese, Sabino
2014-01-01
General relativistic cosmology cannot be reduced to linear relativistic perturbations superposed on an isotropic and homogeneous (Friedmann-Robertson-Walker) background, even though such a simple scheme has been successfully applied to analyse a large variety of phenomena (such as Cosmic Microwave Background primary anisotropies, matter clustering on large scales, weak gravitational lensing, etc.). The general idea of going beyond this simple paradigm is what characterises most of the efforts made in recent years: the study of second and higher-order cosmological perturbations including all general relativistic contributions -- also in connection with primordial non-Gaussianities -- the idea of defining large-scale structure observables directly from a general relativistic perspective, the various attempts to go beyond the Newtonian approximation in the study of non-linear gravitational dynamics, by using e.g., Post-Newtonian treatments, are all examples of this general trend. Here we summarise some of these ...
Relativistic Thermodynamics: A Modern 4-Vector Approach
J. Güémez
2011-01-01
Full Text Available Using the Minkowski relativistic 4-vector formalism, based on Einstein's equation, and the relativistic thermodynamics asynchronous formulation (Grøn (1973, the isothermal compression of an ideal gas is analyzed, considering an electromagnetic origin for forces applied to it. This treatment is similar to the description previously developed by Van Kampen (van Kampen (1969 and Hamity (Hamity (1969. In this relativistic framework Mechanics and Thermodynamics merge in the first law of relativistic thermodynamics expressed, using 4-vector notation, such as ΔUμ = Wμ + Qμ, in Lorentz covariant formulation, which, with the covariant formalism for electromagnetic forces, constitutes a complete Lorentz covariant formulation for classical physics.
Relativistic effect of spin and pseudospin symmetries
Chen, Shou-Wan
2012-01-01
Dirac Hamiltonian is scaled in the atomic units $\\hbar =m=1$, which allows us to take the non-relativistic limit by setting the Compton wavelength $% \\lambda \\rightarrow 0 $. The evolutions of the spin and pseudospin symmetries towards the non-relativistic limit are investigated by solving the Dirac equation with the parameter $\\lambda$. With $\\lambda$ transformation from the original Compton wavelength to 0, the spin splittings decrease monotonously in all spin doublets, and the pseudospin splittings increase in several pseudospin doublets, no change, or even reduce in several other pseudospin doublets. The various energy splitting behaviors of both the spin and pseudospin doublets with $\\lambda$ are well explained by the perturbation calculations of Dirac Hamiltonian in the present units. It indicates that the origin of spin symmetry is entirely due to the relativistic effect, while the origin of pseudospin symmetry cannot be uniquely attributed to the relativistic effect.
Relativistic calculations of coalescing binary neutron stars
Joshua Faber; Phillippe Grandclément; Frederic Rasio
2004-10-01
We have designed and tested a new relativistic Lagrangian hydrodynamics code, which treats gravity in the conformally flat approximation to general relativity. We have tested the resulting code extensively, finding that it performs well for calculations of equilibrium single-star models, collapsing relativistic dust clouds, and quasi-circular orbits of equilibrium solutions. By adding a radiation reaction treatment, we compute the full evolution of a coalescing binary neutron star system. We find that the amount of mass ejected from the system, much less than a per cent, is greatly reduced by the inclusion of relativistic gravitation. The gravity wave energy spectrum shows a clear divergence away from the Newtonian point-mass form, consistent with the form derived from relativistic quasi-equilibrium fluid sequences.
Non-Newtonian Properties of Relativistic Fluids
Koide, Tomoi
2010-01-01
We show that relativistic fluids behave as non-Newtonian fluids. First, we discuss the problem of acausal propagation in the diffusion equation and introduce the modified Maxwell-Cattaneo-Vernotte (MCV) equation. By using the modified MCV equation, we obtain the causal dissipative relativistic (CDR) fluid dynamics, where unphysical propagation with infinite velocity does not exist. We further show that the problems of the violation of causality and instability are intimately related, and the relativistic Navier-Stokes equation is inadequate as the theory of relativistic fluids. Finally, the new microscopic formula to calculate the transport coefficients of the CDR fluid dynamics is discussed. The result of the microscopic formula is consistent with that of the Boltzmann equation, i.e., Grad's moment method.
Energy spectra in relativistic electron precipitation events.
Rosenberg, T. J.; Lanzerotti, L. J.; Bailey, D. K.; Pierson, J. D.
1972-01-01
Two events in August 1967, categorized as relativistic electron precipitation (REP) events by their effect on VHF transmissions propagated via the forward-scatter mode, have been examined with regard to the energy spectra of trapped and precipitated electrons. These two substorm-associated events August 11 and August 25 differ with respect to the relativistic, trapped electron population at synchronous altitude; in the August 25 event there was a nonadiabatic enhancement of relativistic (greater than 400 keV) electrons, while in the August 11 event no relativistic electrons were produced. In both events electron spectra deduced from bremsstrahlung measurements (made on a field line close to that of the satellite) had approximately the same e-folding energies as the trapped electron enhancements. However, the spectrum of electrons in the August 25 event was significantly harder than the spectrum in the event of August 11.
Relativistic Effects at the Freshman Level.
Banna, M. Salim
1985-01-01
Summarizes the content of a lecture in which relativistic effects in chemistry are introduced through a calculation that illustrates these effects on the s and p electrons and that can be verified by photoelectron spectroscopy data. (JN)
Star Products for Relativistic Quantum Mechanics
Henselder, P.
2007-01-01
The star product formalism has proved to be an alternative formulation for nonrelativistic quantum mechanics. We want introduce here a covariant star product in order to extend the star product formalism to relativistic quantum mechanics in the proper time formulation.
Relabeling symmetry in relativistic fluids and plasmas
Kawazura, Yohei; Fukumoto, Yasuhide
2014-01-01
The conservation of the recently formulated relativistic canonical helicity [Yoshida Z, Kawazura Y, and Yokoyama T 2014 J. Math. Phys. 55 043101] is derived from Noether's theorem by constructing an action principle on the relativistic Lagrangian coordinates (we obtain general cross helicities that include the helicity of the canonical vorticity). The conservation law is, then, explained by the relabeling symmetry pertinent to the Lagrangian label of fluid elements. Upon Eulerianizing the Noether current, the purely spatial volume integral on the Lagrangian coordinates is mapped to a space-time mixed three-dimensional integral on the four-dimensional Eulerian coordinates. The relativistic conservation law in the Eulerian coordinates is no longer represented by any divergence-free current; hence, it is not adequate to regard the relativistic helicity (represented by the Eulerian variables) as a Noether charge, and this stands the reason why the "conventional helicity" is no longer a constant of motion. We have...
Relativistic diffusion equation from stochastic quantization
Kazinski, P O
2007-01-01
The new scheme of stochastic quantization is proposed. This quantization procedure is equivalent to the deformation of an algebra of observables in the manner of deformation quantization with an imaginary deformation parameter (the Planck constant). We apply this method to the models of nonrelativistic and relativistic particles interacting with an electromagnetic field. In the first case we establish the equivalence of such a quantization to the Fokker-Planck equation with a special force. The application of the proposed quantization procedure to the model of a relativistic particle results in a relativistic generalization of the Fokker-Planck equation in the coordinate space, which in the absence of the electromagnetic field reduces to the relativistic diffusion (heat) equation. The stationary probability distribution functions for a stochastically quantized particle diffusing under a barrier and a particle in the potential of a harmonic oscillator are derived.
Relativistic Langevin equation for runaway electrons
Mier, J. A.; Martin-Solis, J. R.; Sanchez, R.
2016-10-01
The Langevin approach to the kinetics of a collisional plasma is developed for relativistic electrons such as runaway electrons in tokamak plasmas. In this work, we consider Coulomb collisions between very fast, relativistic electrons and a relatively cool, thermal background plasma. The model is developed using the stochastic equivalence of the Fokker-Planck and Langevin equations. The resulting Langevin model equation for relativistic electrons is an stochastic differential equation, amenable to numerical simulations by means of Monte-Carlo type codes. Results of the simulations will be presented and compared with the non-relativistic Langevin equation for RE electrons used in the past. Supported by MINECO (Spain), Projects ENE2012-31753, ENE2015-66444-R.
Solutions of relativistic radial quasipotential equations
Minh, V.X.; Kadyshevskii, V.G.; Zhidkov, E.P.
1985-11-01
A systematic approach to the investigation of relativistic radial quasipotential equations is developed. The quasipotential equations can be interpreted either as linear equations in finite differences of fourth and second orders, respectively, or as differential equations of infinite order.
Spin, localization and uncertainty of relativistic fermions
Céleri, Lucas C; Terno, Daniel R
2016-01-01
We describe relations between several relativistic spin observables and derive a Lorentz-invariant characteristic of a reduced spin density matrix. A relativistic position operator that satisfies all the properties of its non-relativistic analogue does not exist. Instead we propose two causality-preserving positive operator-valued measures (POVM) that are based on projections onto one-particle and antiparticle spaces, and on the normalized energy density. They predict identical expectation values for position. The variances differ by less than a quarter of the squared de Broglie wavelength and coincide in the non-relativistic limit. Since the resulting statistical moment operators are not canonical conjugates of momentum, the Heisenberg uncertainty relations need not hold. Indeed, the energy density POVM leads to a lower uncertainty. We reformulate the standard equations of the spin dynamics by explicitly considering the charge-independent acceleration, allowing a consistent treatment of backreaction and incl...
Relativistic Model for two-band Superconductivity
Ohsaku, Tadafumi
2003-01-01
To understand the superconductivity in MgB2, several two-band models of superconductivity were proposed. In this paper, by using the relativistic fermion model, we clearize the effect of the lower band in the superconductivity.
On Lorentz invariants in relativistic magnetic reconnection
Yang, Shu-Di; Wang, Xiao-Gang
2016-08-01
Lorentz invariants whose nonrelativistic correspondences play important roles in magnetic reconnection are discussed in this paper. Particularly, the relativistic invariant of the magnetic reconnection rate is defined and investigated in a covariant two-fluid model. Certain Lorentz covariant representations for energy conversion and magnetic structures in reconnection processes are also investigated. Furthermore, relativistic measures for topological features of reconnection sites, particularly magnetic nulls and separatrices, are analyzed.
On the convexity of Relativistic Hydrodynamics
Ibáñez, José María; Martí, José María; Miralles, Juan Antonio; 10.1088/0264-9381/30/5/057002
2013-01-01
The relativistic hydrodynamic system of equations for a perfect fluid obeying a causal equation of state is hyperbolic (Anile 1989 {\\it Relativistic Fluids and Magneto-Fluids} (Cambridge: Cambridge University Press)). In this report, we derive the conditions for this system to be convex in terms of the fundamental derivative of the equation of state (Menikoff and Plohr 1989 {\\it Rev. Mod. Phys.} {\\bf 61} 75). The classical limit is recovered.
Benedicks effect in a relativistic simple fluid
Garcia-Perciante, A L; Garcia-Colin, L S
2013-01-01
According to standard thermophysical theories, cross effects are mostly present in multicomponent systems. In this paper we show that for relativistic fluids an electric field generates a heat flux even in the single component case. In the non-relativistic limit the effect vanishes and Fourier's law is recovered. This result is novel and may have applications in the transport properties of very hot plasmas.
New Developments in Relativistic Viscous Hydrodynamics
Romatschke, Paul
2009-01-01
Starting with a brief introduction into the basics of relativistic fluid dynamics, I discuss our current knowledge of a relativistic theory of fluid dynamics in the presence of (mostly shear) viscosity. Derivations based on the generalized second law of thermodynamics, kinetic theory, and a complete second-order gradient expansion are reviewed. The resulting fluid dynamic equations are shown to be consistent for all these derivations, when properly accounting for the respective region of appl...
Limits and Signatures of Relativistic Spaceflight
Yurtsever, Ulvi
2015-01-01
While special relativity imposes an absolute speed limit at the speed of light, our Universe is not empty Minkowski spacetime. The constituents that fill the interstellar/intergalactic vacuum, including the cosmic microwave background photons, impose a lower speed limit on any object travelling at relativistic velocities. Scattering of cosmic microwave phtotons from an ultra-relativistic object may create radiation with a characteristic signature allowing the detection of such objects at large distances.
Chiral quark model with relativistic kinematics
Garcilazo, H
2003-01-01
The non-strange baryon spectrum is studied within a three-body model that incorporates relativistic kinematics. We found that the combined effect of relativistic kinematics together with the pion exchange between quarks is able to reverse the order of the first positive- and negative-parity nucleon excited states as observed experimentally. Including the chiral partner of the pion (the $\\sigma$ meson) leads to an overall good description of the spectrum.
Relativistic diffusive motion in random electromagnetic fields
Haba, Z, E-mail: zhab@ift.uni.wroc.pl [Institute of Theoretical Physics, University of Wroclaw, 50-204 Wroclaw, Plac Maxa Borna 9 (Poland)
2011-08-19
We show that the relativistic dynamics in a Gaussian random electromagnetic field can be approximated by the relativistic diffusion of Schay and Dudley. Lorentz invariant dynamics in the proper time leads to the diffusion in the proper time. The dynamics in the laboratory time gives the diffusive transport equation corresponding to the Juettner equilibrium at the inverse temperature {beta}{sup -1} = mc{sup 2}. The diffusion constant is expressed by the field strength correlation function (Kubo's formula).
Convexity and symmetrization in relativistic theories
Ruggeri, T.
1990-09-01
There is a strong motivation for the desire to have symmetric hyperbolic field equations in thermodynamics, because they guarantee well-posedness of Cauchy problems. A generic quasi-linear first order system of balance laws — in the non-relativistic case — can be shown to be symmetric hyperbolic, if the entropy density is concave with respect to the variables. In relativistic thermodynamics this is not so. This paper shows that there exists a scalar quantity in relativistic thermodynamics whose concavity guarantees a symmetric hyperbolic system. But that quantity — we call it —bar h — is not the entropy, although it is closely related to it. It is formed by contracting the entropy flux vector — ha with a privileged time-like congruencebar ξ _α . It is also shown that the convexity of h plus the requirement that all speeds be smaller than the speed of light c provide symmetric hyperbolic field equations for all choices of the direction of time. At this level of generality the physical meaning of —h is unknown. However, in many circumstances it is equal to the entropy. This is so, of course, in the non-relativistic limit but also in the non-dissipative relativistic fluid and even in relativistic extended thermodynamics for a non-degenerate gas.
The relativistic geoid: redshift and acceleration potential
Philipp, Dennis; Lämmerzahl, Claus; Puetzfeld, Dirk; Hackmann, Eva; Perlick, Volker
2017-04-01
We construct a relativistic geoid based on a time-independent redshift potential, which foliates the spacetime into isochronometric surfaces. This relativistic potential coincides with the acceleration potential for isometric congruences. We show that the a- and u- geoid, defined in a post-Newtonian framework, coincide also in a more general setup. Known Newtonian and post-Newtonian results are recovered in the respective limits. Our approach offers a relativistic definition of the Earth's geoid as well as a description of the Earth itself (or observers on its surface) in terms of an isometric congruence. Being fully relativistic, this notion of a geoid can also be applied to other compact objects such as neutron stars. By definition, this relativistic geoid can be determined by a congruence of Killing observers equipped with standard clocks by comparing their frequencies as well as by measuring accelerations of objects that follow the congruence. The redshift potential gives the correct result also for frequency comparison through optical fiber links as long as the fiber is at rest w.r.t. the congruence. We give explicit expressions for the relativistic geoid in the Kerr spacetime and the Weyl class of spacetimes. To investigate the influence of higher order mass multipole moments we compare the results for the Schwarzschild case to those obtained for the Erez-Rosen and q-metric spacetimes.
Investigation of relativistic runaway electrons
Jaspers, R.; Lopes Cardozo, N.J.; Schueller, F.C. [FOM-Instituut voor Plasmafysica, Rijnhuizen (Netherlands); Finken, K.H.; Mank, G.; Hoenen, F. [Forschungszentrum Juelich GmbH (Germany). Inst. fuer Plasmaphysik; Boedo, J. [California Univ., Los Angeles, CA (United States). Inst. of Plasma and Fusion Research
1993-12-31
The runaway generation during disruptions is regarded as a serious problem in future tokamak devices. The number and the high energy of these runaways can lead to considerable damage of wall components. In the TEXTOR tokamak (R{sub 0}=1.75 m, a=0.46 m; I{sub p}=350 kA, B{sub t}=2.25T, flat top time {approx_equal}2 s), low density discharges (n{sub e} < 1x10{sup 19} m{sup -3}) are analyzed to study the creation mechanism and the energy increase of the runaways. This is mainly done by the synchrotron radiation emitted by highly relativistic runaways (> 20 MeV). The general features of this synchrotron radiation will be described in Sect.2. In Sect.3 the creation rate of runaways is derived from this radiation. An intriguing observation made at the end of low density ohmic discharges is a fast increase in the pitch angle (i.e. the ratio of perpendicular to parallel velocity) from the runaways on a time scale of less than 65 {mu}s. This phenomenon is discussed in Sect.4. Finally some conclusions will be drawn on the implications these results have for future tokamak operation. (author) 4 refs., 3 figs.
Causal Categories: Relativistically Interacting Processes
Coecke, Bob; Lal, Raymond
2013-04-01
A symmetric monoidal category naturally arises as the mathematical structure that organizes physical systems, processes, and composition thereof, both sequentially and in parallel. This structure admits a purely graphical calculus. This paper is concerned with the encoding of a fixed causal structure within a symmetric monoidal category: causal dependencies will correspond to topological connectedness in the graphical language. We show that correlations, either classical or quantum, force terminality of the tensor unit. We also show that well-definedness of the concept of a global state forces the monoidal product to be only partially defined, which in turn results in a relativistic covariance theorem. Except for these assumptions, at no stage do we assume anything more than purely compositional symmetric-monoidal categorical structure. We cast these two structural results in terms of a mathematical entity, which we call a causal category. We provide methods of constructing causal categories, and we study the consequences of these methods for the general framework of categorical quantum mechanics.
Observation of relativistic antihydrogen atoms
Blanford, Glenn DelFosse
1998-01-01
An observation of relativistic antihydrogen atoms is reported in this dissertation. Experiment 862 at Fermi National Accelerator Laboratory observed antihydrogen atoms produced by the interaction of a circulating beam of high momentum (3 < p < 9 GeV/c) antiprotons and a jet of molecular hydrogen gas. Since the neutral antihydrogen does not bend in the antiproton source magnets, the detectors could be located far from the interaction point on a beamline tangent to the storage ring. The detection of the antihydrogen is accomplished by ionizing the atoms far from the interaction point. The positron is deflected by a magnetic spectrometer and detected, as are the back to back photons resulting from its annihilation. The antiproton travels a distance long enough for its momentum and time of flight to be measured accurately. A statistically significant sample of 101 antihydrogen atoms has been observed. A measurement of the cross section for {bar H}{sup 0} production is outlined within. The cross section corresponds to the process where a high momentum antiproton causes e{sup +} e{sup -} pair creation near a nucleus with the e{sup +} being captured by the antiproton. Antihydrogen is the first atom made exclusively of antimatter to be detected. The observation experiment's results are the first step towards an antihydrogen spectroscopy experiment which would measure the n = 2 Lamb shift and fine structure.
The Relativistic Heavy Ion Collider
Fischer, Wolfram
The Relativistic Heavy Ion Collider (RHIC), shown in Fig. 1, was build to study the interactions of quarks and gluons at high energies [Harrison, Ludlam and Ozaki (2003)]. The theory of Quantum Chromodynamics (QCD) describes these interactions. One of the main goals for the RHIC experiments was the creation and study of the Quark-Gluon Plasma (QGP), which was expected to be formed after the collision of heavy ions at a temperature of approximately 2 trillion kelvin (or equivalently an energy of 150 MeV). The QGP is the substance which existed only a few microseconds after the Big Bang. The QGP was anticipated to be weakly interacting like a gas but turned out to be strongly interacting and more like a liquid. Among its unusual properties is its extremely low viscosity [Auerbach and Schlomo (2009)], which makes the QGP the substance closest to a perfect liquid known to date. The QGP is opaque to moderate energy quarks and gluons leading to a phenomenon called jet quenching, where of a jet and its recoil jet only one is observable and the other suppressed after traversing and interacting with the QGP [Jacak and Müller (2012)]...
BIRKHOFF'S EQUATIONS AND GEOMETRICAL THEORY OF ROTATIONAL RELATIVISTIC SYSTEM
LUO SHAO-KAI; CHEN XIANG-WEI; FU JING-LI
2001-01-01
The Birkhoffian and Birkhoff's functions of a rotational relativistic system are constructed, the Pfaff action of rotational relativistic system is defined, the Pfaff-Birkhoff principle of a rotational relativistic system is given, and the Pfaff-Birkhoff-D'Alembert principles and Birkhoff's equations of rotational relativistic system are constructed. The geometrical description of a rotational relativistic system is studied, and the exact properties of Birkhoff's equations and their forms onR × T*M for a rotational relativistic system are obtained. The global analysis of Birkhoff's equations for a rotational relativistic system is studied, the global properties of autonomous, semi-autonomous and non-autonomous rotational relativistic Birkhoff's equations, and the geometrical properties of energy change for rotational relativistic Birkhoff's equations are given.
Relativistic Hotspots in FR II Radio Sources
Chartrand, Alex M.; Miller, B. P.; Brandt, W. N.; Gawronski, M. P.; Cederbloom, S. E.
2011-01-01
We present a list of six FR II radio sources that are candidates to possess hotspots with modestly relativistic (v/c > 0.2) bulk velocities, in contrast to the vast majority of FR II radio sources that possess non-relativistic hotspot bulk velocities (e.g., v/c = 0.03+/- 0.02 from Scheuer 1995). These objects display arm- length and flux-ratio asymmetries between lobes that self-consistently indicate relativistic motion. The candidates are selected from the FIRST 1.4 GHz survey (including but not limited to the catalog of FR II quasars of de Vries et al. 2006) with the requirement that the radio core have a spectroscopic SDSS counterpart. We find no significant difference in the number of neighboring sources within 300 projected kpc of the candidate sources and randomly selected nearby regions. The deprojected and light travel-time corrected lobe distances are not abnormal for FR II sources, and neither are the core-to-lobe flux ratios after correcting for lobe beaming. We briefly consider four possibilities for these type of objects: (i) environmental interactions randomly mimicking relativistic effects, (ii) a restarted jet causing the near hotspot to brighten while the far hotspot still appears faint, (iii) observation during a short interval common to FR II lifetimes during which the hotspot decelerates from relativistic to non-relativistic velocities, and (iv) innately unusual characteristics (e.g., a mass-loaded jet) driving relativistic bulk velocities in the hotspots of a small fraction (< 1%) of FR II objects. We favor the last interpretation but cannot rule out the alternatives. We also comment on the useful external constraints such objects provide to the evaluation of hotspot X-ray emission mechanisms.
RELATIVISTIC HEAVY ION COLLISIONS: EXPERIMENT
Friedlander, Erwin M.; Heckman, Harry H.
1982-04-01
Relativistic heavy ion physics began as a 'no man's land' between particle and nuclear physics, with both sides frowning upon it as 'unclean', because on one hand, hadronic interactions and particle production cloud nuclear structure effects, while on the other, the baryonic environment complicates the interpretation of production experiments. They have attempted to review here the experimental evidence on RHI collisions from the point of view that it represents a new endeavor in the understanding of strong interaction physics. Such an approach appears increasingly justified; first, by the accumulation of data and observations of new features of hadronic interactions that could not have been detected outside a baryonic environment; second, by the maturation of the field owing to the advances made over the past several years in experimental inquiries on particle production by RHI, including pions, kaons, hyperons, and searches for antiprotons; and third, by the steady and progressive increase in the energy and mass ranges of light nuclear beams that have become available to the experiment; indeed the energy range has widened from the {approx} 0.2 to 2 AGeV at the Bevalac to {approx}4 AGeV at Dubna and recently, to the quantum jump in energies to {approx} 1000 equivalent AGeV at the CERN PS-ISR. Accompanying these expansions in the energy frontier are the immediate prospects for very heavy ion beams at the Bevalac up to, and including, 1 AGeV {sup 238}U, thereby extending the 'mass frontier' to its ultimate extent.
Applying Relativistic Reconnection to Blazar Jets
Nalewajko, Krzysztof
2016-01-01
Rapid and luminous flares of non-thermal radiation observed in blazars require an efficient mechanism of energy dissipation and particle acceleration in relativistic active galactic nuclei (AGN) jets. Particle acceleration in relativistic magnetic reconnection is being actively studied by kinetic numerical simulations. Relativistic reconnection produces hard power-law electron energy distributions N(gamma) = N_0 gamma^(-p) exp(-gamma/gamma_max) with index p -> 1 and exponential cut-off Lorentz factor gamma_max ~ sigma in the limit of magnetization sigma = B^2/(4 pi w) >> 1 (where w is the relativistic enthalpy density). Reconnection in electron-proton plasma can additionally boost gamma_max by the mass ratio m_p/m_e. Hence, in order to accelerate particles to gamma_max ~ 10^6 in the case of BL Lacs, reconnection should proceed in plasma of very high magnetization sigma_max >~ 10^3. On the other hand, moderate mean jet magnetization values are required for magnetic bulk acceleration of relativistic jets, sigma...
Relativistic mixtures of charged and uncharged particles
Kremer, Gilberto M. [Departamento de Física, Universidade Federal do Paraná, Curitiba (Brazil)
2014-01-14
Mixtures of relativistic gases within the framework of Boltzmann equation are analyzed. Three systems are considered. The first one refers to a mixture of uncharged particles by using Grad’s moment method, where the relativistic mixture is characterized by the moments of the distribution functions: particle four-flows, energy-momentum tensors, and third-order moment tensors. In the second Fick’s law for a mixture of relativistic gases of non-disparate rest masses in a Schwarzschild metric are derived from an extension of Marle and McCormack model equations applied to a relativistic truncated Grad’s distribution function, where it is shown the dependence of the diffusion coefficient on the gravitational potential. The third one consists in the derivation of the relativistic laws of Ohm and Fourier for a binary mixtures of electrons with protons and electrons with photons subjected to external electromagnetic fields and in presence of gravitational fields by using the Anderson and Witting model of the Boltzmann equation.
General relativistic observables of the GRAIL mission
Turyshev, Slava G; Sazhin, Mikhail V
2012-01-01
We present a realization of astronomical relativistic reference frames in the solar system and its application to the GRAIL mission. We model the necessary spacetime coordinate transformations for light-trip time computations and address some practical aspects of the implementation of the resulting model. We develop all the relevant relativistic coordinate transformations that are needed to describe the motion of the GRAIL spacecraft and to compute all observable quantities. We take into account major relativistic effects contributing to the dual one-way range observable, which is derived from one-way signal travel times between the two GRAIL spacecraft. We develop a general relativistic model for this fundamental observable of GRAIL, accurate to 1 $\\mu$m. We develop and present a relativistic model for another key observable of this experiment, the dual one-way range-rate, accurate to 1 $\\mu$m/s. The presented formulation justifies the basic assumptions behind the design of the GRAIL mission. It may also be ...
Chaos and maps in relativistic rynamical systems
L. P. Horwitz
2000-01-01
Full Text Available The basic work of Zaslavskii et al showed that the classical non-relativistic electromagnetically kicked oscillator can be cast into the form of an iterative map on the phase space; the resulting evolution contains a stochastic flow to unbounded energy. Subsequent studies have formulated the problem in terms of a relativistic charged particle in interaction with the electromagnetic field. We review the structure of the covariant Lorentz force used to study this problem. We show that the Lorentz force equation can be derived as well from the manifestly covariant mechanics of Stueckelberg in the presence of a standard Maxwell field, establishing a connection between these equations and mass shell constraints. We argue that these relativistic generalizations of the problem are intrinsically inaccurate due to an inconsistency in the structure of the relativistic Lorentz force, and show that a reformulation of the relativistic problem, permitting variations (classically in both the particle mass and the effective “mass” of the interacting electromagnetic field, provides a consistent system of classical equations for describing such processes.
Suresh, Lingala; Sagar Vijay Kumar, P; Poornachandra, Y; Ganesh Kumar, C; Babu, Nanubolu Jagadeesh; Chandramouli, G V P
2016-08-15
An efficient domino protocol has been developed for the synthesis of new pyrimidine scaffolds, through a one-pot four-component cascade transformation via [Bmim]HSO4 ionic liquid mediated reaction, using an equimolar mixture of thiochroman-4-one, benzaldehyde, thiourea and 3-bromo-1-phenylpropan-1-one leading to the formation of a double electrophilic pyrimidine-2(5H)-thione intermediate. The intermediate regioselectively undergoes cyclization through intramolecular NH bond activation followed by CS bond formation leading to highly functionalized thiazolo[3,2-a]thiochromeno[4,3-d]pyrimidines. The ionic liquid operates efficiently under mild conditions. The recyclability and scope for recovery of the ionic liquid makes this protocol environmentally benign. Further, the compounds 5d, 5g and 5k showed promising antimicrobial activity against the tested Gram-positive bacterial strains. Among them, the compound 5d was identified as a lead molecule exhibiting promising anti-biofilm activity towards Staphylococcus aureus MTCC 96, Bacillus subtilis MTCC 121, Staphylococcus aureus MLS16 MTCC 2940 and Micrococcus luteus MTCC 2470 with IC50 values of 2.1, 1.9, 2.4 and 5.3μg/mL, respectively. Further, the compound 5d showed increased levels of intracellular ROS accumulation in Staphylococcus aureus MTCC 96 suggesting that oxidative stress resulted in bacterial cell lysis and death.
Bates, Jefferson E.; Shiozaki, Toru [Department of Chemistry, Northwestern University, 2145 Sheridan Rd., Evanston, Illinois 60208 (United States)
2015-01-28
We develop an efficient algorithm for four-component complete active space self-consistent field (CASSCF) methods on the basis of the Dirac equation that takes into account spin–orbit and other relativistic effects self-consistently. Orbitals are optimized using a trust-region quasi-Newton method with Hessian updates so that energies are minimized with respect to rotations among electronic orbitals and maximized with respect to rotations between electronic and positronic orbitals. Utilizing density fitting and parallel computation, we demonstrate that Dirac–Coulomb CASSCF calculations can be routinely performed on systems with 100 atoms and a few heavy-elements. The convergence behavior and wall times for octachloridodirhenate(III) and a tungsten methylidene complex are presented. In addition, the excitation energies of octachloridodirhenate(III) are reported using a state-averaged variant.
Bates, Jefferson E.; Shiozaki, Toru
2015-01-01
We develop an efficient algorithm for four-component complete active space self-consistent field (CASSCF) methods on the basis of the Dirac equation that takes into account spin-orbit and other relativistic effects self-consistently. Orbitals are optimized using a trust-region quasi-Newton method with Hessian updates so that energies are minimized with respect to rotations among electronic orbitals and maximized with respect to rotations between electronic and positronic orbitals. Utilizing density fitting and parallel computation, we demonstrate that Dirac-Coulomb CASSCF calculations can be routinely performed on systems with 100 atoms and a few heavy-elements. The convergence behavior and wall times for octachloridodirhenate(III) and a tungsten methylidene complex are presented. In addition, the excitation energies of octachloridodirhenate(III) are reported using a state-averaged variant.
Relativistic Consistent Angular-Momentum Projected Shell-Model:Relativistic Mean Field
LI Yan-Song; LONG Gui-Lu
2004-01-01
We develop a relativistic nuclear structure model, relativistic consistent angular-momentum projected shellmodel (RECAPS), which combines the relativistic mean-field theory with the angular-momentum projection method.In this new model, nuclear ground-state properties are first calculated consistently using relativistic mean-field (RMF)theory. Then angular momentum projection method is used to project out states with good angular momentum from a few important configurations. By diagonalizing the hamiltonian, the energy levels and wave functions are obtained.This model is a new attempt for the understanding of nuclear structure of normal nuclei and for the prediction of nuclear properties of nuclei far from stability. In this paper, we will describe the treatment of the relativistic mean field. A computer code, RECAPS-RMF, is developed. It solves the relativistic mean field with axial-symmetric deformation in the spherical harmonic oscillator basis. Comparisons between our calculations and existing relativistic mean-field calculations are made to test the model. These include the ground-state properties of spherical nuclei 16O and 208Pb,the deformed nucleus 20Ne. Good agreement is obtained.
Resistive Magnetohydrodynamic Simulations of Relativistic Magnetic Reconnection
Zenitani, Seiji; Hesse, Michael; Klimas, Alex
2010-01-01
Resistive relativistic magnetohydrodynamic (RRMHD) simulations are applied to investigate the system evolution of relativistic magnetic reconnection. A time-split Harten-Lan-van Leer method is employed. Under a localized resistivity, the system exhibits a fast reconnection jet with an Alfv enic Lorentz factor inside a narrow Petschek-type exhaust. Various shock structures are resolved in and around the plasmoid such as the post-plasmoid vertical shocks and the "diamond-chain" structure due to multiple shock reflections. Under a uniform resistivity, Sweet-Parker-type reconnection slowly evolves. Under a current-dependent resistivity, plasmoids are repeatedly formed in an elongated current sheet. It is concluded that the resistivity model is of critical importance for RRMHD modeling of relativistic magnetic reconnection.
On the convexity of Relativistic Ideal Magnetohydrodynamics
Ibáñez, José-María; Aloy, Miguel-Ángel; Martí, José-María; Miralles, Juan-Antonio
2015-01-01
We analyze the influence of the magnetic field in the convexity properties of the relativistic magnetohydrodynamics system of equations. To this purpose we use the approach of Lax, based on the analysis of the linearly degenerate/genuinely non-linear nature of the characteristic fields. Degenerate and non-degenerate states are discussed separately and the non-relativistic, unmagnetized limits are properly recovered. The characteristic fields corresponding to the material and Alfv\\'en waves are linearly degenerate and, then, not affected by the convexity issue. The analysis of the characteristic fields associated with the magnetosonic waves reveals, however, a dependence of the convexity condition on the magnetic field. The result is expressed in the form of a generalized fundamental derivative written as the sum of two terms. The first one is the generalized fundamental derivative in the case of purely hydrodynamical (relativistic) flow. The second one contains the effects of the magnetic field. The analysis ...
Relativistic dynamics, Green function and pseudodifferential operators
Cirilo-Lombardo, Diego Julio
2016-01-01
The central role played by pseudodifferential operators in relativistic dynamics is very well know. In this work, operators as the Schrodinger one (e.g: square root) are treated from the point of view of the non-local pseudodifferential Green functions. Starting from the explicit construction of the Green (semigroup) theoretical kernel, a theorem linking the integrability conditions and their dependence on the spacetime dimensions is given. Relativistic wave equations with arbitrary spin and the causality problem are discussed with the algebraic interpretation of the radical operator and their relation with coherent and squeezed states. Also we perform by mean of pure theoretical procedures (based in physical concepts and symmetry) the relativistic position operator which satisfies the conditions of integrability : it is non-local, Lorentz invariant and does not have the same problems as the "local"position operator proposed by Newton and Wigner. Physical examples, as Zitterbewegung and rogue waves, are prese...
General relativistic observables for the ACES experiment
Turyshev, Slava G; Toth, Viktor T
2015-01-01
We develop a high-precision model for relativistic observables of the Atomic Clock Ensemble in Space (ACES) experiment on the International Space Station (ISS). We develop all relativistic coordinate transformations that are needed to describe the motion of ACES in Earth orbit and to compute observable quantities. We analyze the accuracy of the required model as it applies to the proper-to-coordinate time transformations, light time equation, and spacecraft equations of motion. We consider various sources of nongravitational noise and their effects on ACES. We estimate the accuracy of orbit reconstruction that is needed to satisfy the ACES science objectives. Based on our analysis, we derive models for the relativistic observables of ACES, which also account for the contribution of atmospheric drag on the clock rate. We include the Earth's oblateness coefficient $J_2$ and the effects of major nongravitational forces on the orbit of the ISS. We demonstrate that the ACES reference frame is pseudo-inertial at th...
Relativistic mirrors in laser plasmas (analytical methods)
Bulanov, S. V.; Esirkepov, T. Zh; Kando, M.; Koga, J.
2016-10-01
Relativistic flying mirrors in plasmas are realized as thin dense electron (or electron-ion) layers accelerated by high-intensity electromagnetic waves to velocities close to the speed of light in vacuum. The reflection of an electromagnetic wave from the relativistic mirror results in its energy and frequency changing. In a counter-propagation configuration, the frequency of the reflected wave is multiplied by the factor proportional to the Lorentz factor squared. This scientific area promises the development of sources of ultrashort x-ray pulses in the attosecond range. The expected intensity will reach the level at which the effects predicted by nonlinear quantum electrodynamics start to play a key role. We present an overview of theoretical methods used to describe relativistic flying, accelerating, oscillating mirrors emerging in intense laser-plasma interactions.
Exact quantisation of the relativistic Hopfield model
Belgiorno, F., E-mail: francesco.belgiorno@polimi.it [Dipartimento di Matematica, Politecnico di Milano, Piazza Leonardo 32, IT-20133 Milano (Italy); INdAM-GNFM (Italy); Cacciatori, S.L., E-mail: sergio.cacciatori@uninsubria.it [Department of Science and High Technology, Università dell’Insubria, Via Valleggio 11, IT-22100 Como (Italy); INFN sezione di Milano, via Celoria 16, IT-20133 Milano (Italy); Dalla Piazza, F., E-mail: f.dallapiazza@gmail.com [Università “La Sapienza”, Dipartimento di Matematica, Piazzale A. Moro 2, I-00185, Roma (Italy); Doronzo, M., E-mail: m.doronzo@uninsubria.it [Department of Science and High Technology, Università dell’Insubria, Via Valleggio 11, IT-22100 Como (Italy)
2016-11-15
We investigate the quantisation in the Heisenberg representation of a relativistically covariant version of the Hopfield model for dielectric media, which entails the interaction of the quantum electromagnetic field with the matter dipole fields, represented by a mesoscopic polarisation field. A full quantisation of the model is provided in a covariant gauge, with the aim of maintaining explicit relativistic covariance. Breaking of the Lorentz invariance due to the intrinsic presence in the model of a preferred reference frame is also taken into account. Relativistic covariance forces us to deal with the unphysical (scalar and longitudinal) components of the fields, furthermore it introduces, in a more tricky form, the well-known dipole ghost of standard QED in a covariant gauge. In order to correctly dispose of this contribution, we implement a generalised Lautrup trick. Furthermore, causality and the relation of the model with the Wightman axioms are also discussed.
Resistive Magnetohydrodynamic Simulations of Relativistic Magnetic Reconnection
Zenitani, Seiji; Klimas, Alex
2010-01-01
Resistive relativistic magnetohydrodynamic (RRMHD) simulations are applied to investigate the system evolution of relativistic magnetic reconnection. A time-split Harten--Lan--van Leer (HLL) method is employed. Under a localized resistivity, the system exhibits a fast reconnection jet with an Alfv\\'{e}nic Lorentz factor inside a narrow Petschek-type exhaust. Various shock structures are resolved in and around the plasmoid such as the post-plasmoid vertical shocks and the "diamond--chain" structure due to multiple shock reflections. Under a uniform resistivity, Sweet--Parker-type reconnection slowly evolves. Under a current-dependent resistivity, plasmoids are repeatedly formed in an elongated current sheet. It is concluded that the resistivity model is of critical importance for RRMHD modeling of relativistic magnetic reconnection.
INTRACLUSTER MEDIUM REHEATING BY RELATIVISTIC JETS
Perucho, Manel; Quilis, Vicent; Marti, Jose-Maria [Departament d' Astronomia i Astrofisica, Universitat de Valencia, c/Dr. Moliner 50, E-46100 Burjassot (Valencia) (Spain)
2011-12-10
Galactic jets are powerful energy sources reheating the intracluster medium in galaxy clusters. Their crucial role in the cosmic puzzle, motivated by observations, has been established by a great number of numerical simulations excluding the relativistic nature of these jets. We present the first relativistic simulations of the very long-term evolution of realistic galactic jets. Unexpectedly, our results show no buoyant bubbles, but large cocoon regions compatible with the observed X-ray cavities. The reheating is more efficient and faster than in previous scenarios, and it is produced by the shock wave driven by the jet, that survives for several hundreds of Myr. Therefore, the X-ray cavities in clusters produced by powerful relativistic jets would remain confined by weak shocks for extremely long periods and their detection could be an observational challenge.
The relativistic virial theorem and scale invariance
Gaite, Jose
2013-01-01
The virial theorem is related to the dilatation properties of bound states. This is realized, in particular, by the Landau-Lifshitz formulation of the relativistic virial theorem, in terms of the trace of the energy-momentum tensor. We construct a Hamiltonian formulation of dilatations in which the relativistic virial theorem naturally arises as the condition of stability against dilatations. A bound state becomes scale invariant in the ultrarelativistic limit, in which its energy vanishes. However, for very relativistic bound states, scale invariance is broken by quantum effects and the virial theorem must include the energy-momentum tensor trace anomaly. This quantum field theory virial theorem is directly related to the Callan-Symanzik equations. The virial theorem is applied to QED and then to QCD, focusing on the bag model of hadrons. In massless QCD, according to the virial theorem, 3/4 of a hadron mass corresponds to quarks and gluons and 1/4 to the trace anomaly.
Relativistic Scott correction for atoms and molecules
Solovej, Jan Philip; Sørensen, Thomas Østergaard; Spitzer, Wolfgang Ludwig
2010-01-01
We prove the first correction to the leading Thomas-Fermi energy for the ground state energy of atoms and molecules in a model where the kinetic energy of the electrons is treated relativistically. The leading Thomas-Fermi energy, established in [25], as well as the correction given here, are of ......We prove the first correction to the leading Thomas-Fermi energy for the ground state energy of atoms and molecules in a model where the kinetic energy of the electrons is treated relativistically. The leading Thomas-Fermi energy, established in [25], as well as the correction given here......, are of semiclassical nature. Our result on atoms and molecules is proved from a general semiclassical estimate for relativistic operators with potentials with Coulomb-like singularities. This semiclassical estimate is obtained using the coherent state calculus introduced in [36]. The paper contains a unified treatment...
Exact quantisation of the relativistic Hopfield model
Belgiorno, F; Piazza, F Dalla; Doronzo, M
2016-01-01
We investigate the quantisation in the Heisenberg representation of a relativistically covariant version of the Hopfield model for dielectric media, which entails the interaction of the quantum electromagnetic field with the matter dipole fields. The matter fields are represented by a mesoscopic polarization field. A full quantisation of the model is provided in a covariant gauge, with the aim of maintaining explicit relativistic covariance. Breaking of the Lorentz invariance due to the intrinsic presence in the model of a preferred reference frame is also taken into account. Relativistic covariance forces us to deal with the unphysical (scalar and longitudinal) components of the fields, furthermore it introduces, in a more tricky form, the well-known dipole ghost of standard QED in a covariant gauge. In order to correctly dispose of this contribution, we implement a generalized Lautrup trick. Furthermore, causality and the relation of the model with the Wightman axioms are also discussed.
Investigation on shock waves stability in relativistic gas dynamics
Alexander Blokhin
1993-05-01
Full Text Available This paper is devoted to investigation of the linearized mixed problem of shock waves stability in relativistic gas dynamics. The problem of symmetrization of relativistic gas dynamics equations is also discussed.
Symmetry and Covariance of Non-relativistic Quantum Mechanics
Omote, Minoru; kamefuchi, Susumu
2000-01-01
On the basis of a 5-dimensional form of space-time transformations non-relativistic quantum mechanics is reformulated in a manifestly covariant manner. The resulting covariance resembles that of the conventional relativistic quantum mechanics.
Non-relativistic Quantum Mechanics versus Quantum Field Theories
Pineda, Antonio
2007-01-01
We briefly review the derivation of a non-relativistic quantum mechanics description of a weakly bound non-relativistic system from the underlying quantum field theory. We highlight the main techniques used.
Rehman, M. A.; Qureshi, M. N. S. [Department of Physics, GC University, Kachery Road, Lahore 54000 (Pakistan); Shah, H. A. [Department of Physics, Forman Christian College, Ferozepur Road, Lahore 54600 (Pakistan); Masood, W. [COMSATS, Institute of Information Technology, Park Road, Chak Shehzad, Islamabad 44000 (Pakistan); National Centre for Physics (NCP) Shahdra Valley Road, Islamabad (Pakistan)
2015-10-15
Nonlinear circularly polarized Alfvén waves are studied in magnetized nonrelativistic, relativistic, and ultrarelativistic degenerate Fermi plasmas. Using the quantum hydrodynamic model, Zakharov equations are derived and the Sagdeev potential approach is used to investigate the properties of the electromagnetic solitary structures. It is seen that the amplitude increases with the increase of electron density in the relativistic and ultrarelativistic cases but decreases in the nonrelativistic case. Both right and left handed waves are considered, and it is seen that supersonic, subsonic, and super- and sub-Alfvénic solitary structures are obtained for different polarizations and under different relativistic regimes.
A relativistic non-relativistic Goldstone theorem: gapped Goldstones at finite charge density
Nicolis, Alberto
2012-01-01
We adapt the Goldstone theorem to study spontaneous symmetry breaking in relativistic theories at finite charge density. It is customary to treat systems at finite density via non-relativistic Hamiltonians. Here we highlight the importance of the underlying relativistic dynamics. This leads to seemingly new results whenever the charge in question is spontaneously broken and does not commute with other broken charges. These would normally be associated with gapless Goldstone excitations. We find that, in fact, their currents interpolate gapped excitations. We derive exact non-perturbative expressions for their gaps, in terms of the chemical potential and of the symmetry algebra.
Photonic realization of the relativistic Kronig-Penney model and relativistic Tamm surface states
Longhi, Stefano
2011-01-01
Photonic analogues of the relativistic Kronig-Penney model and of relativistic surface Tamm states are proposed for light propagation in fibre Bragg gratings (FBGs) with phase defects. A periodic sequence of phase slips in the FBG realizes the relativistic Kronig-Penney model, the band structure of which being mapped into the spectral response of the FBG. For the semi-infinite FBG Tamm surface states can appear and can be visualized as narrow resonance peaks in the transmission spectrum of the grating.
Relativistic QED Plasma at Extremely High Temperature
Masood, Samina S
2016-01-01
Renormalization scheme of QED (Quantum Electrodynamics) at high temperatures is used to calculate the effective parameters of relativistic plasma in the early universe. Renormalization constants of QED play role of effective parameters of the theory and can be used to determine the collective behavior of the medium. We explicitly show that the dielectric constant, magnetic reluctivity, Debye length and the plasma frequency depend on temperature in the early universe. Propagation speed, refractive index, plasma frequency and Debye shielding length of a QED plasma are computed at extremely high temperatures in the early universe. We also found the favorable conditions for the relativistic plasma from this calculations.
Towards universal quantum computation through relativistic motion
Bruschi, David Edward; Kok, Pieter; Johansson, Göran; Delsing, Per; Fuentes, Ivette
2013-01-01
We show how to use relativistic motion to generate continuous variable Gaussian cluster states within cavity modes. Our results can be demonstrated experimentally using superconducting circuits where tunable boundary conditions correspond to mirrors moving with velocities close to the speed of light. In particular, we propose the generation of a quadripartite square cluster state as a first example that can be readily implemented in the laboratory. Since cluster states are universal resources for universal one-way quantum computation, our results pave the way for relativistic quantum computation schemes.
A relativistic and autonomous navigation satellite system
Delva, Pacôme; Kostić, Uros; Carloni, Sante
2011-01-01
A relativistic positioning system has been proposed by Bartolom\\'e Coll in 2002. Since then, several group developed this topic with different approaches. I will present a work done in collaboration with Ljubljana University and the ESA Advanced Concepts Team. We developed a concept, Autonomous Basis of Coordinates, in order to take advantage of the full autonomy of a satellite constellation for navigation and positioning, by means of satellite inter-links. I will present the advantages of this new paradigm and a number of potential application for reference systems, geophysics and relativistic gravitation.
Can Bohmian mechanics be made relativistic?
Dürr, Detlef; Goldstein, Sheldon; Norsen, Travis; Struyve, Ward; Zanghì, Nino
2014-02-08
In relativistic space-time, Bohmian theories can be formulated by introducing a privileged foliation of space-time. The introduction of such a foliation-as extra absolute space-time structure-would seem to imply a clear violation of Lorentz invariance, and thus a conflict with fundamental relativity. Here, we consider the possibility that, instead of positing it as extra structure, the required foliation could be covariantly determined by the wave function. We argue that this allows for the formulation of Bohmian theories that seem to qualify as fundamentally Lorentz invariant. We conclude with some discussion of whether or not they might also qualify as fundamentally relativistic.
Relativistic Mirrors in Laser Plasmas (Analytical Methods)
Bulanov, Sergei V; Kando, Masaki; Koga, James K
2016-01-01
Relativistic flying mirrors in plasmas are realized as thin dense electron (or electron-ion) layers accelerated by high-intensity electromagnetic waves to velocities close to the speed of light in vacuum. The reflection of an electromagnetic wave from the relativistic mirror results in its energy and frequency changing. In a counter-propagation configuration, the frequency of the reflected wave is multiplied by the factor proportional to the Lorentz factor squared. This scientific area promises the development of sources of ultrashort X-ray pulses in the attosecond range. The expected intensity will reach the level at which the effects predicted by nonlinear quantum electrodynamics start to play a key role.
Weakly relativistic dispersion of Bernstein waves
Robinson, P. A.
1988-01-01
Weakly relativistic effects on the dispersion of Bernstein waves are investigated for waves propagating nearly perpendicular to a uniform magnetic field in a Maxwellian plasma. Attention is focused on those large-wave-vector branches that are either weakly damped or join continuously onto weakly damped branches since these are the modes of most interest in applications. The transition between dispersion at perpendicular and oblique propagation is examined and major weakly relativistic effects can dominate even in low-temperature plasmas. A number of simple analytic criteria are obtained which delimit the ranges of harmonic number and propagation angle within which various types of weakly damped Bernstein modes can exist.
Fermion confinement by a relativistic flux tube
Olsson, M G; Williams, K; Olsson, M G; Veseli, S; Williams, K
1996-01-01
We formulate the description of the dynamic confinement of a single fermion by a flux tube. The range of validity extends from the relativistic corrections of a slowly moving quark to the ultra-relativistic motion in a heavy-light meson. The reduced Salpeter equation, also known as the no-pair equation, provides the framework for our discussion. The Regge structure is that of a Nambu string with one end fixed. Numerical solutions are found giving very good fits to heavy-light meson masses. The Isgur-Wise function with a zero recoil slope of \\xi'(1)\\simeq -1.23 is obtained.
Weakly relativistic dispersion of Bernstein waves
Robinson, P. A.
1988-01-01
Weakly relativistic effects on the dispersion of Bernstein waves are investigated for waves propagating nearly perpendicular to a uniform magnetic field in a Maxwellian plasma. Attention is focused on those large-wave-vector branches that are either weakly damped or join continuously onto weakly damped branches since these are the modes of most interest in applications. The transition between dispersion at perpendicular and oblique propagation is examined and major weakly relativistic effects can dominate even in low-temperature plasmas. A number of simple analytic criteria are obtained which delimit the ranges of harmonic number and propagation angle within which various types of weakly damped Bernstein modes can exist.
Absolute Stability Limit for Relativistic Charged Spheres
Giuliani, Alessandro
2007-01-01
We find an exact solution for the stability limit of relativistic charged spheres for the case of constant gravitational mass density and constant charge density. We argue that this provides an absolute stability limit for any relativistic charged sphere in which the gravitational mass density decreases with radius and the charge density increases with radius. We then provide a cruder absolute stability limit that applies to any charged sphere with a spherically symmetric mass and charge distribution. We give numerical results for all cases. In addition, we discuss the example of a neutral sphere surrounded by a thin, charged shell.
Relativistic wave equations: an operational approach
Dattoli, G.; Sabia, E.; Górska, K.; Horzela, A.; Penson, K. A.
2015-03-01
The use of operator methods of an algebraic nature is shown to be a very powerful tool to deal with different forms of relativistic wave equations. The methods provide either exact or approximate solutions for various forms of differential equations, such as relativistic Schrödinger, Klein-Gordon, and Dirac. We discuss the free-particle hypotheses and those relevant to particles subject to non-trivial potentials. In the latter case we will show how the proposed method leads to easily implementable numerical algorithms.
Stream instabilities in relativistically hot plasma
Shaisultanov, Rashid; Eichler, David
2011-01-01
The instabilities of relativistic ion beams in a relativistically hot electron background are derived for general propagation angles. It is shown that the Weibel instability in the direction perpendicular to the streaming direction is the fastest growing mode, and probably the first to appear, consistent with the aligned filaments that are seen in PIC simulations. Oblique, quasiperpendicular modes grow almost as fast, as the growth rate varies only moderately with angle, and they may distort or corrugate the filaments after the perpendicular mode saturates.
Relativistic Celestial Mechanics of the Solar System
Kopeikin, Sergei; Kaplan, George
2011-01-01
This authoritative book presents the theoretical development of gravitational physics as it applies to the dynamics of celestial bodies and the analysis of precise astronomical observations. In so doing, it fills the need for a textbook that teaches modern dynamical astronomy with a strong emphasis on the relativistic aspects of the subject produced by the curved geometry of four-dimensional spacetime. The first three chapters review the fundamental principles of celestial mechanics and of special and general relativity. This background material forms the basis for understanding relativistic r
Generalized magnetofluid connections in relativistic magnetohydrodynamics.
Asenjo, Felipe A; Comisso, Luca
2015-03-20
The concept of magnetic connections is extended to nonideal relativistic magnetohydrodynamical plasmas. Adopting a general set of equations for relativistic magnetohydrodynamics including thermal-inertial, thermal electromotive, Hall, and current-inertia effects, we derive a new covariant connection equation showing the existence of generalized magnetofluid connections that are preserved during the dissipationless plasma dynamics. These connections are intimately linked to a general antisymmetric tensor that unifies the electromagnetic and fluid fields, allowing the extension of the magnetic connection notion to a much broader concept.
General relativistic tidal heating for Moller pseudotensor
So, Lau Loi
2015-01-01
Thorne elucidated that the relativistic tidal heating is the same as the Newtonian theory. Moreover, Thorne also claimed that the tidal heating is independent of how one localizes gravitational energy and is unambiguously given by a certain formula. Purdue and Favata calculated the tidal heating for different classical pseudotensors including Moller and obtained the results all matched with the Newtonian perspective. After re-examined this Moller pseudotensor, we find that there does not exist any tidal heating value. Thus we claim that the relativistic tidal heating is pseudotensor independent under the condition that if the peusdotensor is a Freud typed superpotential.
Tsednee, Tsogbayar; Yeager, Danny L
2015-01-01
We propose and develop the complex scaled multiconfigurational spin-tensor electron propagator (CMCSTEP) technique for theoretical determination of resonance parameters with electron-atom/molecule systems including open-shell and highly correlated atoms and molecules. The multiconfigurational spin-tensor electron propagator method (MCSTEP) developed and implemented by Yeager his coworkers in real space gives very accurate and reliable ionization potentials and attachment energies. The CMCSTEP method uses a complex scaled multiconfigurational self-consistent field (CMCSCF) state as an initial state along with a dilated Hamiltonian where all of the electronic coordinates are scaled by a complex factor. CMCSCF was developed and applied successfully to resonance problems earlier. We apply the CMCSTEP method to get $^2 P\\,\\mbox{Be}^{-}$ shape resonance parameters using $14s11p5d$, $14s14p2d$, and $14s14p5d$ basis sets with a $2s2p3d$\\,CAS. The obtained value of the resonance parameters are compared to previous res...
Brogi, Cosimo; Huisman, Johan Alexander; Kaufmann, Manuela Sarah; von Hebel, Christian; van der Kruk, Jan; Vereecken, Harry
2017-04-01
Soil subsurface structures can play a key role in crop performance, especially during water stress periods. Geophysical techniques like electromagnetic induction EMI have been shown to be able of providing information about dominant shallow subsurface features. However, previous work with EMI has typically not reached beyond the field scale. The objective of this study is to use large-scale multi-configuration EMI to characterize patterns of soil structural organization (layering and texture) and the associated impact on crop vegetation at the km2 scale. For this, we carried out an intensive measurement campaign and collected high spatial resolution multi-configuration EMI data on an agricultural area of approx. 1 km2 (102 ha) near Selhausen (North Rhine-Westphalia, Germany) with a maximum depth of investigation of around 2.5 m. We measured using two EMI instruments simultaneously with a total of nine coil configurations. The instruments were placed inside polyethylene sleds that were pulled by an all-terrain-vehicle along parallel lines with a spacing of 2 to 2.5 m. The driving speed was between 5 and 7 km h-1 and we used a 0.2 Hz sampling frequency to obtain an in-line resolution of approximately 0.3 m. The survey area consists of almost 50 different fields managed in different way. The EMI measurements were collected between April and December 2016 within a few days after the harvest of each field. After data acquisition, EMI data were automatically filtered, temperature corrected, and interpolated onto a common grid. The resulting EMI maps allowed us to identify three main areas with different subsurface heterogeneities. The differences between these areas are likely related to the late quaternary geological history (Pleistocene and Holocene) of the area that resulted in spatially variable soil texture and layering, which has a strong impact on spatio-temporal soil water content variability. The high resolution surveys also allowed us to identify small scale
Toyota, Azumao; Muramatsu, Takashi; Koseki, Shiro
2017-03-23
Stable geometrical structures for formonitrile imine (1) and N-substituted nitrile imines HCN2-R (R = Li, BeH, BH2, CH3, CN, CCH, C6H5, NH2, OH, and F) (2-11) were examined by using the multiconfiguration self-consistent-field (MCSCF) method followed by second-order configuration interaction (SOCI) calculations and second-order multiconfiguration quasi-degenerate perturbation theory (MCQDPT2) calculations, together with the aug-cc-pVTZ basis sets. The results show that 1 suffers a pseudo-Jahn-Teller (JT) distortion from a linear C∞v structure to a C1 structure via a planar bent Cs structure. Each of the others is found to undergo pseudo-JT distortion from a symmetrical structure to a planar bent Cs structure for 2, 3, and 7 and to a C1 structure for 4, 5, 6, 8, 9, 10, and 11. At the stationary structures of 1-11, the structural characteristics were briefly discussed in terms of allenic and propargylic. To elucidate the nature of pseudo-JT distortions, energy component analyses were carried out at the MCSCF+SOCI level of theory at all of the stationary structures for the relevant molecules. In most of the molecules examined, pseudo-JT stabilizations were classified into two groups, one in which the stability arises from a lowering of the energy of the attractive term Ven and the other in which the stability results from a lowering of the energy of the repulsive terms Vnn and Vee. In addition to the above two groups, it was also found that the following three groups are responsible for the pseudo-JT stabilizations in a certain stage of the structural changes. Namely, one is a lowering of the energy of the term Vee observed in 6, another is a lowering of the energy of the terms Vee and Ven observed in 9-11, and the other is a lowering of the energy of the terms Ven and Vnn observed in 10. These energetic behaviors were accounted in terms of an elongation or a contraction of the molecular skeleton, a migration of electrons from one part of the molecule to other parts
Classical simulation of relativistic Zitterbewegung in photonic lattices.
Dreisow, Felix; Heinrich, Matthias; Keil, Robert; Tünnermann, Andreas; Nolte, Stefan; Longhi, Stefano; Szameit, Alexander
2010-10-01
We present the first experimental realization of an optical analog for relativistic quantum mechanics by simulating the Zitterbewegung (trembling motion) of a free Dirac electron in an optical superlattice. Our photonic setting enables a direct visualization of Zitterbewegung as a spatial oscillatory motion of an optical beam. Direct measurements of the wave packet expectation values in superlattices with tuned miniband gaps clearly show the transition from weak-relativistic to relativistic and far-relativistic regimes.
Relativistic heat conduction and thermoelectric properties of nonuniform plasmas
Honda, M
2003-01-01
Relativistic heat transport in electron-two-temperature plasmas with density gradients has been investigated. The Legendre expansion analysis of relativistically modified kinetic equations shows that strong inhibition of heat flux appears in relativistic temperature regimes, suppressing the classical Spitzer-H{\\"a}rm conduction. The Seebeck coefficient, the Wiedemann-Franz law, and the thermoelectric figure of merit are derived in the relativistic regimes.
Theory of symmetry for a rotational relativistic Birkhoff system
罗绍凯; 陈向炜; 郭永新
2002-01-01
The theory of symmetry for a rotational relativistic Birkhoff system is studied. In terms of the invariance of therotational relativistic Pfaff-Birkhoff-D'Alembert principle under infinitesimal transformations, the Noether symmetriesand conserved quantities of a rotational relativistic Birkhoff system are given. In terms of the invariance of rotationalrelativistic Birkhoff equations under infinitesimal transformations, the Lie symmetries and conserved quantities of therotational relativistic Birkhoff system are given.
Cheng Cheng; Gao Xiang; Qing Bo; Zhang Xiao-Le; Li Jia-Ming
2011-01-01
Using the multi-configuration Dirac-Fock self-consistent field method and the relativistic configuration-interaction method, calculations of transition energies, oscillator strengths and rates are performed for the 3s2 1S0-3s3p 1P1 spinallowed transition, 3s2 1S0-3s3p 3P1,2 intercombination and magnetic quadrupole transition in the Mg isoelectronic sequence (Mg Ⅰ, Al Ⅱ, Si ⅢⅢ, P Ⅳ and S Ⅴ). Electron correlations are treated adequately, including intravalence electron correlations. The influence of the Breit interaction on oscillator strengths and transition energies are investigated. Quantum electrodynamics corrections are added as corrections. The calculation results are found to be in good agreement with the experimental data and other theoretical calculations.
Black Sun: Ocular Invisibility of Relativistic Luminous Astrophysical Bodies
Lee, Jeffrey S
2015-01-01
The relativistic Doppler shifting of visible electromagnetic radiation to beyond the human ocular range reduces the incident radiance of the source. Consequently, luminous astrophysical bodies (LABs) can be rendered invisible with sufficient relativistic motion. This paper determines the proper distance as a function of relativistic velocity at which a luminous object attains ocular invisibility.
Introduction to relativistic statistical mechanics classical and quantum
Hakim, Rémi
2011-01-01
This is one of the very few books focusing on relativistic statistical mechanics, and is written by a leading expert in this special field. It started from the notion of relativistic kinetic theory, half a century ago, exploding into relativistic statisti
A two-fluid model for relativistic heat conduction
López-Monsalvo, César S. [Instituto de Ciencias Nucleares, Universidad Nacional Autónoma de México (Mexico)
2014-01-14
Three years ago it was presented in these proceedings the relativistic dynamics of a multi-fluid system together with various applications to a set of topical problems [1]. In this talk, I will start from such dynamics and present a covariant formulation of relativistic thermodynamics which provides us with a causal constitutive equation for the propagation of heat in a relativistic setting.
Light scattering test regarding the relativistic nature of heat
Sandoval-Villalbazo, A
2006-01-01
The dynamic structure factor of a simple relativistic fluid is calculated. The coupling of acceleration with the heat flux present in Eckart's version of irreversible relativistic thermodynamics is examined using the Rayleigh-Brillouin spectrum of the fluid. A modification of the width of the Rayleigh peak associated to Eckart's picture of the relativistic nature of heat is predicted and estimated.
Light scattering test regarding the relativistic nature of heat
2005-01-01
The dynamic structure factor of a simple relativistic fluid is calculated. The coupling of acceleration with the heat flux present in Eckart's version of irreversible relativistic thermodynamics is examined using the Rayleigh-Brillouin spectrum of the fluid. A modification of the width of the Rayleigh peak associated to Eckart's picture of the relativistic nature of heat is predicted and estimated.
A Structurally Relativistic Quantum Theory. Part 1: Foundations
Grgin, Emile
2012-01-01
The apparent impossibility of extending non-relativistic quantum mechanics to a relativistic quantum theory is shown to be due to the insufficient structural richness of the field of complex numbers over which quantum mechanics is built. A new number system with the properties needed to support an inherently relativistic quantum theory is brought to light and investigated to a point sufficient for applications.
Magnetic collimation of the relativistic jet in M 87
Gracia, JG; Tsinganos, KT; Bogovalov, SV
2005-01-01
We apply a two-zone MHD model to the jet of M87. The model consists of an inner relativistic outflow, which is surrounded by a non-nonrelativistic outer disk-wind. The relativistic outer disk-wind collimates very well through magnetic self-collimation and confines the inner relativistic jet into a n
Is a Relativistic Thermodynamics possible?; Es posible una Termodinamica Relativista?
Guemez, J.
2010-07-01
A brief historical review the literature on developing the concept of Thermodynamics Relativistic. We analyze two examples of application of the Galilean and Relativistic Thermodynamics discussed under what circumstances could build a relativistic Thermodynamics Lorentz covariant with physical sense. (Author) 19 refs.
Theory and Applications of Non-Relativistic and Relativistic Turbulent Reconnection
Lazarian, A; Takamoto, M; Pino, E M de Gouveia Dal; Cho, J
2015-01-01
Realistic astrophysical environments are turbulent due to the extremely high Reynolds numbers. Therefore, the theories of reconnection intended for describing astrophysical reconnection should not ignore the effects of turbulence on magnetic reconnection. Turbulence is known to change the nature of many physical processes dramatically and in this review we claim that magnetic reconnection is not an exception. We stress that not only astrophysical turbulence is ubiquitous, but also magnetic reconnection itself induces turbulence. Thus turbulence must be accounted for in any realistic astrophysical reconnection setup. We argue that due to the similarities of MHD turbulence in relativistic and non-relativistic cases the theory of magnetic reconnection developed for the non-relativistic case can be extended to the relativistic case and we provide numerical simulations that support this conjecture. We also provide quantitative comparisons of the theoretical predictions and results of numerical experiments, includi...
Rubin, Jacques
2014-01-01
Relativistic stereometric coordinates supplied by relativistic auto-locating positioning systems made up of four satellites supplemented by a fifth one are defined in addition to the well-known emission and reception coordinates. Such a constellation of five satellites defines a so-called relativistic localizing system. The determination of such systems is motivated by the need to not only locate (within a grid) users utilizing receivers but, more generally, to localize any spacetime event. The angles measured on the celestial spheres of the five satellites enter into the definition. Therefore, there are, up to scalings, intrinsic physical coordinates related to the underlying conformal structure of spacetime. Moreover, they indicate that spacetime must be endowed everywhere with a local projective geometry characteristic of a so-called generalized Cartan space locally modeled on four-dimensional, real projective space. The particular process of localization providing the relativistic stereometric coordinates...
Investigation of Properties of Exotic Nuclei in Non-relativistic and Relativistic Models
2001-01-01
Properties of exotic nuclei are described by non-relativistic and relativistic models. The relativistic mean field theory predicts one proton halo in 26,27,28P and two proton halos in 27,28,29S, recently, one proton halo in 26,27,28P has been found experimentally in MSU lab. The relativistic Hartree-Fock theory has been used to investigate the contribution of Fock term and isovector mesons to the properties of exotic nuclei. It turns out that the influence of the Fock term and isovector mesons on the properties of neutron extremely rich nuclei is very different from that of near stable nuclei. Meanwhile, the deformed Hartree-Fock-Bogoliubov theory has been employed to describe the ground state properties of the isotopes for some light nuclei.
Tensor Fields in Relativistic Quantum Mechanics
Dvoeglazov, Valeriy V
2015-01-01
We re-examine the theory of antisymmetric tensor fields and 4-vector potentials. We discuss corresponding massless limits. We analize the quantum field theory taking into account the mass dimensions of the notoph and the photon. Next, we deduced the gravitational field equations from relativistic quantum mechanics.
Relativistic energy loss in a dispersive medium
Houlrik, Jens Madsen
2002-01-01
The electron energy loss in a dispersive medium is obtained using macroscopic electrodynamics taking advantage of a static frame of reference. Relativistic corrections are described in terms of a dispersive Lorentz factor obtained by replacing the vacuum velocity c by the characteristic phase...
A Quantum Relativistic Prisoner's Dilemma Cellular Automaton
Alonso-Sanz, Ramón; Carvalho, Márcio; Situ, Haozhen
2016-10-01
The effect of variable entangling on the dynamics of a spatial quantum relativistic formulation of the iterated prisoner's dilemma game is studied in this work. The game is played in the cellular automata manner, i.e., with local and synchronous interaction. The game is assessed in fair and unfair contests.
Stable discrete representation of relativistically drifting plasmas
Kirchen, Manuel; Godfrey, Brendan B; Dornmair, Irene; Jalas, Soeren; Peters, Kevin; Vay, Jean-Luc; Maier, Andreas R
2016-01-01
Representing the electrodynamics of relativistically drifting particle ensembles in discrete, co-propagating Galilean coordinates enables the derivation of a Particle-in-Cell algorithm that is intrinsically free of the Numerical Cherenkov Instability, for plasmas flowing at a uniform velocity. Application of the method is shown by modeling plasma accelerators in a Lorentz-transformed optimal frame of reference.
Relativistic Stern-Gerlach Deflection: Hamiltonian Formulation
Mane, S R
2016-01-01
A Hamiltonian formalism is employed to elucidate the effects of the Stern-Gerlach force on beams of relativistic spin-polarized particles, for passage through a localized region with a static magnetic or electric field gradient. The problem of the spin-orbit coupling for nonrelativistic bounded motion in a central potential (hydrogen-like atoms, in particular) is also briefly studied.
RELATIVISTIC HEAVY ION PHYSICS: A THEORETICAL OVERVIEW.
KHARZEEV,D.
2004-03-28
This is a mini-review of recent theoretical work in the field of relativistic heavy ion physics. The following topics are discussed initial conditions and the Color Glass Condensate; approach to thermalization and the hydrodynamic evolution; hard probes and the properties of the Quark-Gluon Plasma. Some of the unsolved problems and potentially promising directions for future research are listed as well.
General relativistic aspects of ferromagneto-fluid
Asgekar, G.G.; Patwardhan, C.G.
1988-03-01
The implications of Bianchi identities pertaining to the spacetime of relativistic ferrofluid with infinite conductivity and variable magnetic permeability are investigated. Some kinematical and dynamical corollaries emerging out of a preferred geometrical symmetry called an isometry with respect to the flow vector and the magnetic field vector are developed.
General relativistic aspects of ferromagneto-fluid.
Asgekar, G. G.; Patwardhan, C. G.
1988-03-01
The implications of Bianchi identities pertaining to the spacetime of relativistic ferrofluid with infinite conductivity and variable magnetic permeability are investigated. Some kinematical and dynamical corollaries emerging out of a preferred geometrical symmetry called an isometry with respect to the flow vector and the magnetic field vector are developed.
Glueball Masses in Relativistic Potential Model
Shpenik, A; Kis, J; Fekete, Yu
2000-01-01
The problem of glueball mass spectra using the relativistic Dirac equation is studied. Also the Breit-Fermi approach used to obtaining hyperfine splitting in glueballs. Our approach is based on the assumption, that the nature and the forces between two gluons are the short-range. We were to calculate the glueball masses with used screened potential.
Turbulent Comptonization in Relativistic Accretion Disks
Socrates, A; Blaes, Omer M; Socrates, Aristotle; Davis, Shane W.; Blaes, Omer
2006-01-01
Turbulent Comptonization, a potentially important damping and radiation mechanism in relativistic accretion flows, is discussed. Particular emphasis is placed on the physical basis, relative importance, and thermodynamics of turbulent Comptonization. The effects of metal-absorption opacity on the spectral component resulting from turbulent Comptonization is considered as well.
Relativistic energy loss in a dispersive medium
Houlrik, Jens Madsen
2002-01-01
The electron energy loss in a dispersive medium is obtained using macroscopic electrodynamics taking advantage of a static frame of reference. Relativistic corrections are described in terms of a dispersive Lorentz factor obtained by replacing the vacuum velocity c by the characteristic phase...
Instabilities in a Relativistic Viscous Fluid
Corona-Galindo, M. G.; Klapp, J.; Vazquez, A.
1990-11-01
RESUMEN. Las ecuaciones hidrodinamicas de un fluido imperfecto relativista son resueltas, y los modos hidrodinamicos son analizados con el prop6sito de estabiecer correlaciones con las estructuras cosmol6gicas. ABSTRACT The hydrodynamical equations of a relativistic imperfect fluid are solved, and the hydrodynamical modes are analysed with the aim to establish correlations with cosmological structures. Ke, words: COSMOLOGY - HYDRODYNAMICS - RELATIVITY
Workshop on gravitational waves and relativistic astrophysics
Patrick Das Gupta
2004-10-01
Discussions related to gravitational wave experiments viz. LIGO and LISA as well as to observations of supermassive black holes dominated the workshop sessions on gravitational waves and relativistic astrophysics in the ICGC-2004. A summary of seven papers that were presented in these workshop sessions has been provided in this article.
Solitary Waves in Relativistic Electromagnetic Plasma
XIE Bai-Song; HUA Cun-Cai
2005-01-01
Solitary waves in relativistic electromagnetic plasmas are obtained numerically. The longitudinal momentum of electrons has been taken into account in the problem. It is found that in the moving frame with electromagnetic field propagating the solitary waves can exist in both cases, where the vector potential frequency is larger or smaller than the plasma characteristic frequency.
Teleportation of the Relativistic Quantum Field
Laiho, R; Nazin, S S
2000-01-01
The process of teleportation of a completely unknown one-particle state of a free relativistic quantum field is considered. In contrast to the non-relativistic quantum mechanics, the teleportation of an unknown state of the quantum field cannot be in principle described in terms of a measurement in a tensor product of two Hilbert spaces to which the unknown state and the state of the EPR-pair belong. The reason is of the existence of a cyclic (vacuum) state common to both the unknown state and the EPR-pair. Due to the common vacuum vector and the microcausality principle (commutation relations for the field operators), the teleportation amplitude contains inevitably contributions which are irrelevant to the teleportation process. Hence in the relativistic theory the teleportation in the sense it is understood in the non-relativistic quantum mechanics proves to be impossible because of the impossibility of the realization of the appropriate measurement as a tensor product of the measurements related to the ind...
Vendrell, Oriol
2010-01-01
The multilayer multiconfiguration time-dependent Hartree (ML-MCTDH) method is discussed and a fully general implementation for any number of layers based on the recursive ML-MCTDH algorithm given by Manthe [J. Chem. Phys. {\\bf 128}, 164116 (2008)] is presented. The method is applied first to a generalized Henon-Heiles (HH) Hamiltonian. For 6D HH the overhead of ML-MCTDH makes the method slower than MCTDH, but for 18D HH ML-MCTDH starts to be competitive. We report as well 1458D simulations of the HH Hamiltonian using a seven layer scheme. The photoabsorption spectrum of pyrazine computed with the 24D Hamiltonian of Raab {\\em et. al.} [J. Chem. Phys. {\\bf 110}, 936 (1999)] provides a realistic molecular test case for the method. Quick and small ML-MCTDH calculations needing a fraction of the time and resources of reference MCTDH calculations provide already spectra with all the correct features. Accepting slightly larger deviations, the calculation can be accelerated to take only 7 minutes. When pushing the me...
Xie, Yu; Zheng, Jie; Lan, Zhenggang
2015-02-28
Electron transfer at the donor-acceptor heterojunctions plays a critical role in the photoinduced process during the solar energy conversion in organic photovoltaic materials. We theoretically investigate the electron transfer process in the anthracene/C60 donor-acceptor complex by using quantum dynamics calculations. The electron-transfer model Hamiltonian with full dimensionality was built by quantum-chemical calculations. The quantum dynamics calculations were performed using the multiconfigurational time-dependent Hartree (MCTDH) theory and multilayer (ML) MCTDH methods. The latter approach (ML-MCTDH) allows us to conduct the comprehensive study on the quantum evolution of the full-dimensional electron-transfer model including 4 electronic states and 246 vibrational degrees of freedom. Our quantum dynamics calculations exhibit the ultrafast anthracene → C60 charge transfer process because of the strong coupling between excitonic and charge transfer states. This work demonstrates that the ML-MCTDH is a very powerful method to treat the quantum evolution of complex systems.
Xie, Yu; Zheng, Jie; Lan, Zhenggang, E-mail: lanzg@qibebt.ac.cn [CAS Key Laboratory of Biobased Materials, Qingdao Institute of Bioenergy and Bioprocess Technology, Chinese Academy of Sciences, Qingdao 266101 (China); University of Chinese Academy of Sciences, Beijing 100049 (China)
2015-02-28
Electron transfer at the donor-acceptor heterojunctions plays a critical role in the photoinduced process during the solar energy conversion in organic photovoltaic materials. We theoretically investigate the electron transfer process in the anthracene/C60 donor-acceptor complex by using quantum dynamics calculations. The electron-transfer model Hamiltonian with full dimensionality was built by quantum-chemical calculations. The quantum dynamics calculations were performed using the multiconfigurational time-dependent Hartree (MCTDH) theory and multilayer (ML) MCTDH methods. The latter approach (ML-MCTDH) allows us to conduct the comprehensive study on the quantum evolution of the full-dimensional electron-transfer model including 4 electronic states and 246 vibrational degrees of freedom. Our quantum dynamics calculations exhibit the ultrafast anthracene → C60 charge transfer process because of the strong coupling between excitonic and charge transfer states. This work demonstrates that the ML-MCTDH is a very powerful method to treat the quantum evolution of complex systems.
Welsch, Ralph; Manthe, Uwe
2012-12-28
The multi-layer extension of the multi-configurational time-dependent Hartree (MCTDH) approach is applied to the investigation of elementary bimolecular chemical reactions. Cumulative reaction probabilities and thermal rate constants of the H + CH(4) → H(2) + CH(3) reaction are calculated using flux correlation functions and the quantum transition state concept. Different coordinate systems and potential energy surfaces (PESs) are studied. The convergence properties of different layerings are investigated and the efficiency of multi-layer MCTDH approach is compared to the standard MCTDH approach. It is found that the multi-layer approach can decrease the numerical effort by more than an order of magnitude. The increased efficiency resulting from the multi-layer MCTDH approach is crucial for quantum dynamical calculations on recent global H + CH(4) → H(2) + CH(3) PESs, e.g., the ZBB3-PES [Z. Xie, J. M. Bowman, and X. Zhang, J. Chem. Phys. 125, 133120 (2006)] based on permutational invariant polynomials, which are numerically more demanding than earlier PESs. The results indicate that an accurate description of all transition state frequencies is important to obtain accurate thermal rate constants.
Hussain, S.; Mahmood, S.; Rehman, Aman-ur- [Theoretical Physics Division (TPD), PINSTECH, P.O. Nilore, Islamabad 44000, Pakistan and Pakistan Institute of Engineering and Applied Sciences (PIEAS), P.O. Nilore, Islamabad 44000 (Pakistan)
2014-11-15
Linear and nonlinear propagation of magnetosonic waves in the perpendicular direction to the ambient magnetic field is studied in dense plasmas for non-relativistic and ultra-relativistic degenerate electrons pressure. The sources of nonlinearities are the divergence of the ions and electrons fluxes, Lorentz forces on ions and electrons fluids and the plasma current density in the system. The Korteweg-de Vries equation for magnetosonic waves propagating in the perpendicular direction of the magnetic field is derived by employing reductive perturbation method for non-relativistic as well as ultra-relativistic degenerate electrons pressure cases in dense plasmas. The plots of the magnetosonic wave solitons are also shown using numerical values of the plasma parameters such a plasma density and magnetic field intensity of the white dwarfs from literature. The dependence of plasma density and magnetic field intensity on the magnetosonic wave propagation is also pointed out in dense plasmas for both non-relativistic and ultra-relativistic degenerate electrons pressure cases.
Bodek, K.; Rozpędzik, D.; Zejma, J. [Jagiellonian University, Faculty of Physics, Astronomy and Applied Informatics, Reymonta 4, 30059 Kraków (Poland); Caban, P.; Rembieliński, J.; Włodarczyk, M. [University of Łódź, Faculty of Physics and Applied Informatics, Pomorska 149/153, 90236 Łódź (Poland); Ciborowski, J. [University of Warsaw, Faculty of Physics, Hoza 69, 00681 Warsaw (Poland); Enders, J.; Köhler, A. [Technische Universität Darmstadt, Institut für Kernphysik, Schlossgartenstraße 9, 64289 Darmstadt (Germany); Kozela, A. [Institute of Nuclear Physics, Polish Academy of Sciences, Radzikowskiego 152, 31342 Kraków (Poland)
2013-11-07
The Polish-German project QUEST aims at studying relativistic quantum spin correlations of the Einstein-Rosen-Podolsky-Bohm type, through measurement of the correlation function and the corresponding probabilities for relativistic electron pairs. The results will be compared to theoretical predictions obtained by us within the framework of relativistic quantum mechanics, based on assumptions regarding the form of the relativistic spin operator. Agreement or divergence will be interpreted in the context of non-uniqueness of the relativistic spin operator in quantum mechanics as well as dependence of the correlation function on the choice of observables representing the spin. Pairs of correlated electrons will originate from the Mo/ller scattering of polarized 15 MeV electrons provided by the superconducting Darmstadt electron linear accelerator S-DALINAC, TU Darmstadt, incident on a Be target. Spin projections will be determined using the Mott polarimetry technique. Measurements (starting 2013) are planned for longitudinal and transverse beam polarizations and different orientations of the beam polarization vector w.r.t. the Mo/ller scattering plane. This is the first project to study relativistic spin correlations for particles with mass.
Relativistic decay widths of autoionization processes: The relativistic FanoADC-Stieltjes method
Fasshauer, Elke; Kolorenč, Přemysl; Pernpointner, Markus
2015-04-01
Electronic decay processes of ionized systems are, for example, the Auger decay or the Interatomic/ Intermolecular Coulombic Decay. In both processes, an energetically low lying vacancy is filled by an electron of an energetically higher lying orbital and a secondary electron is instantaneously emitted to the continuum. Whether or not such a process occurs depends both on the energetic accessibility and the corresponding lifetime compared to the lifetime of competing decay mechanisms. We present a realization of the non-relativistically established FanoADC-Stieltjes method for the description of autoionization decay widths including relativistic effects. This procedure, being based on the Algebraic Diagrammatic Construction (ADC), was adapted to the relativistic framework and implemented into the relativistic quantum chemistry program package Dirac. It is, in contrast to other existing relativistic atomic codes, not limited to the description of autoionization lifetimes in spherically symmetric systems, but is instead also applicable to molecules and clusters. We employ this method to the Auger processes following the Kr3d-1, Xe4d-1, and Rn5d-1 ionization. Based on the results, we show a pronounced influence of mainly scalar-relativistic effects on the decay widths of autoionization processes.
Relativistic Landau Models and Generation of Fuzzy Spheres
Hasebe, Kazuki
2015-01-01
Non-commutative geometry naturally emerges in low energy physics of Landau models as a consequence of level projection. In this work, we proactively utilize the level projection as an effective tool to generate fuzzy geometry. The level projection is specifically applied to the relativistic Landau models. In one-half of the paper, a detail analysis of the relativistic Landau problems on a sphere is presented, where a concise expression of the Dirac-Landau operator eigenstates is obtained based on algebraic methods. We establish $SU(2)$ "gauge" transformation between the relativistic Landau model and the Pauli-Schr\\"odinger non-relativistic quantum mechanics. In the other half, the fuzzy geometries generated from the relativistic Landau levels are elucidated, where unique properties of the relativistic fuzzy geometries are clarified. We consider mass deformation of the relativistic Landau models and demonstrate its geometrical effects to fuzzy geometry. Super fuzzy geometry is also constructed from a supersymm...
Whittaker Order Reduction Method of Relativistic Birkhoffian Systems
LUOShao-Kai; HUANGFei-Jiang; LUYi-Bing
2004-01-01
The order reduction method of the relativistic Birkhollian equations is studied. For a relativistic autonomous Birkhotffian system, if the conservative law of the Birkhotffian holds, the conservative quantity can be called the generalized energy integral. Through the generalized energy integral, the order of the system can be reduced. If the relativisticBirkhoffian system has a generalized energy integral, then the Birkhoffian equations can be reduced by at least twodegrees and the Birkhoffian form can be kept. The relations among the relativistic Birkhoffian mechanics, the relativistic Hamiltonian mechanics and the relativistic Lagrangian mechanics are discussed, and the Whittaker order reduction method of the relativistic Lagrangian system is obtained. And an example is given to illustrate the application of theresult.
Whittaker Order Reduction Method of Relativistic Birkhoffian Systems
LUO Shao-Kai; HUANG Fei-Jiang; LU Yi-Bing
2004-01-01
The order reduction method of the relativistic Birkhoffian equations is studied. For a relativistic autonomous Birkhoffian system, if the conservative law of the Birkhoffian holds, the conservative quantity can be called the generalized energy integral. Through the generalized energy integral, the order of the system can be reduced. If the relativistic Birkhoffian system has a generalized energy integral, then the Birkhoffian equations can be reduced by at least two degrees and the Birkhoffian form can be kept. The relations among the relativistic Birkhoffian mechanics, the relativistic Hamiltonian mechanics and the relativistic Lagrangian mechanics are discussed, and the Whittaker order reduction method of the relativistic Lagrangian system is obtained. And an example is given to illustrate the application of the result.
Routh Order Reduction Method of Relativistic Birkhoffian Systems
LUO Shao-Kai; GUO Yong-Xin
2007-01-01
Routh order reduction method of the relativistic Birkhoffian equations is studied.For a relativistic Birkhoffian system,the cyclic integrals can be found by using the perfect differential method.Through these cyclic integrals,the order of the system can be reduced.If the relativistic Birkhoffian system has a cyclic integral,then the Birkhoffian equations can be reduced at least by two degrees and the Birkhoffian form can be kept.The relations among the relativistic Birkhoffian mechanics,the relativistic Hamiltonian mechanics,and the relativistic Lagrangian mechanics are discussed,and the Routh order reduction method of the relativistic Lagrangian system is obtained.And an example is given to illustrate the application of the result.
Formulation of the Relativistic Quantum Hall Effect and "Parity Anomaly"
Yonaga, Kouki; Shibata, Naokazu
2016-01-01
We present a relativistic formulation of the quantum Hall effect on a Riemann sphere. An explicit form of the pseudopotential is derived for the relativistic quantum Hall effect with/without mass term.We clarify particular features of the relativistic quantum Hall states with use of the exact diagonalization study of the pseudopotential Hamiltonian. Physical effects of the mass term to relativistic quantum Hall states are investigated in detail.The mass term acts as an interporating parameter between the relativistic and non-relativistic quantum Hall effects. It is pointed out that the mass term inequivalently affects to many-body physics of the positive and negative Landau levels and brings instability of the Laughlin state of the positive first relativistic Landau level as a consequence of the "parity anomaly".
RIS3: A program for relativistic isotope shift calculations
Nazé, C.; Gaidamauskas, E.; Gaigalas, G.; Godefroid, M.; Jönsson, P.
2013-09-01
An atomic spectral line is characteristic of the element producing the spectrum. The line also depends on the isotope. The program RIS3 (Relativistic Isotope Shift) calculates the electron density at the origin and the normal and specific mass shift parameters. Combining these electronic quantities with available nuclear data, isotope-dependent energy level shifts are determined. Program summaryProgram title:RIS3 Catalogue identifier: ADEK_v2_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/ADEK_v2_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: Standard CPC licence, http://cpc.cs.qub.ac.uk/licence/licence.html No. of lines in distributed program, including test data, etc.: 5147 No. of bytes in distributed program, including test data, etc.: 32869 Distribution format: tar.gz Programming language: Fortran 77. Computer: HP ProLiant BL465c G7 CTO. Operating system: Centos 5.5, which is a Linux distribution compatible with Red Hat Enterprise Advanced Server. Classification: 2.1. Catalogue identifier of previous version: ADEK_v1_0 Journal reference of previous version: Comput. Phys. Comm. 100 (1997) 81 Subprograms used: Cat Id Title Reference ADZL_v1_1 GRASP2K VERSION 1_1 to be published. Does the new version supersede the previous version?: Yes Nature of problem: Prediction of level and transition isotope shifts in atoms using four-component relativistic wave functions. Solution method: The nuclear motion and volume effects are treated in first order perturbation theory. Taking the zero-order wave function in terms of a configuration state expansion |Ψ>=∑μcμ|Φ(γμPJMj)>, where P, J and MJ are, respectively, the parity and angular quantum numbers, the electron density at the nucleus and the normal and specific mass shift parameters may generally be expressed as ∑cμcν where V is the relevant operator. The matrix elements, in turn, can be expressed as sums over radial integrals multiplied
Newtonian view of general relativistic stars
Oliveira, A.M. [Instituto Federal do Espirito Santo (IFES), Grupo de Ciencias Ambientais e Recursos Naturais, Guarapari (Brazil); Velten, H.E.S.; Fabris, J.C. [Universidade Federal do Espirito Santo (UFES), Departamento de Fisica, Vitoria (Brazil); Salako, I.G. [Institut de Mathematiques et de Sciences Physiques (IMSP), Porto-Novo (Benin)
2014-11-15
Although general relativistic cosmological solutions, even in the presence of pressure, can be mimicked by using neo-Newtonian hydrodynamics, it is not clear whether there exists the same Newtonian correspondence for spherical static configurations. General relativity solutions for stars are known as the Tolman-Oppenheimer-Volkoff (TOV) equations. On the other hand, the Newtonian description does not take into account the total pressure effects and therefore cannot be used in strong field regimes. We discuss how to incorporate pressure in the stellar equilibrium equations within the neo-Newtonian framework. We compare the Newtonian, neo-Newtonian, and the full relativistic theory by solving the equilibrium equations for both three approaches and calculating the mass-radius diagrams for some simple neutron stars' equations of state. (orig.)
25th Texas Symposium on Relativistic Astrophysics
Rieger, Frank M.; van Eldik, Christopher; Hofmann, Werner
The 25th Texas Symposium on Relativistic Astrophysics (TEXAS 2010) was held in Heidelberg, Germany, during December, 6-10, 2010. More than 350 astrophysicists attended a very interesting meeting, designed to exchange ideas and results, and to discuss future directions in Relativistic Astrophysics. A wide range of scientific results were discussed in about 100 oral and about 200 poster contributions during nine parallel afternoon sessions and one highlight evening session. Further information, including the full program, can be found on the conference webpage: http://www.mpi-hd.mpg.de/texas2010/. The papers published here in these proceedings represent the contributions accepted for the parallel sessions and the main poster session at TEXAS 2010.
Stochastic oscillations of general relativistic disks
Harko, Tiberiu
2012-01-01
We analyze the general relativistic oscillations of thin accretion disks around compact astrophysical objects interacting with the surrounding medium through non-gravitational forces. The interaction with the external medium (a thermal bath) is modeled via a friction force, and a random force, respectively. The general equations describing the stochastically perturbed disks are derived by considering the perturbations of trajectories of the test particles in equatorial orbits, assumed to move along the geodesic lines. By taking into account the presence of a viscous dissipation and of a stochastic force we show that the dynamics of the stochastically perturbed disks can be formulated in terms of a general relativistic Langevin equation. The stochastic energy transport equation is also obtained. The vertical oscillations of the disks in the Schwarzschild and Kerr geometries are considered in detail, and they are analyzed by numerically integrating the corresponding Langevin equations. The vertical displacement...
Recent results on relativistic heavy ion collisions
Munhoz, Marcelo [Universidade de Sao Paulo (IF/USP), Sao Paulo, SP (Brazil). Inst. de Fisica
2013-07-01
Full text: The study of relativistic heavy ion collisions is a very important tool in order to understand the strong interaction described by QCD. The formation of the Quark-Gluon Plasma and the study of its properties is a very challenging quest. The Large Hadron Collider (LHC) from CERN (European Organization for Nuclear Research) generates ultra-relativistic Pb + Pb collisions at the TeV scale inaugurating a new era for such studies. Three experiments, ATLAS, CMS and ALICE are able to measure the products of such collisions. In special, the ALICE experiment was designed specifically for the study of heavy ion collisions. In this presentation, I'll discuss the latest results that shed light in the QGP understanding. (author)
Cosmological Measurements with General Relativistic Galaxy Correlations
Raccanelli, Alvise; Bertacca, Daniele; Doré, Olivier; Durrer, Ruth
2015-01-01
We investigate the cosmological dependence and the constraining power of large-scale galaxy correlations, including all redshift-distortions, wide-angle, lensing and gravitational potential effects on linear scales. We analyze the cosmological information present in the lensing convergence and in the gravitational potential terms describing the so-called "relativistic effects," and we find that, while smaller than the information contained in intrinsic galaxy clustering, it is not negligible. We investigate how neglecting them does bias cosmological measurements performed by future spectroscopic and photometric large-scale surveys such as SKA and Euclid. We perform a Fisher analysis using the CLASS code, modified to include scale-dependent galaxy bias and redshift-dependent magnification and evolution bias. Our results show that neglecting relativistic terms introduces an error in the forecasted precision in measuring cosmological parameters of the order of a few tens of percent, in particular when measuring ...
Relativistic-microwave theory of ball lightning
Wu, H.-C.
2016-06-01
Ball lightning, a fireball sometimes observed during lightnings, has remained unexplained. Here we present a comprehensive theory for the phenomenon: At the tip of a lightning stroke reaching the ground, a relativistic electron bunch can be produced, which in turn excites intense microwave radiation. The latter ionizes the local air and the radiation pressure evacuates the resulting plasma, forming a spherical plasma bubble that stably traps the radiation. This mechanism is verified by particle simulations. The many known properties of ball lightning, such as the occurrence site, relation to the lightning channels, appearance in aircraft, its shape, size, sound, spark, spectrum, motion, as well as the resulting injuries and damages, are also explained. Our theory suggests that ball lighting can be created in the laboratory or triggered during thunderstorms. Our results should be useful for lightning protection and aviation safety, as well as stimulate research interest in the relativistic regime of microwave physics.
Test of Relativistic Eigenfunctions for Pseudospin Symmetry
Ginocchio, Joseph N.
2001-10-01
Pseudospin symmetry has been shown to be a relativistic symmetry of the Dirac Hamiltonian [1] and the generators of this symmetry have been determined [2]. Although the measured energy splittings between pseudospin doublets are small, the eigenfunctions of the doublets have been examined only recently [3]. We show to what extent the pseudospin partners of realistic relativistic mean field eigenfunctions [4] are themselves eigenfunctions of the same Dirac Hamiltonian. 1) J. N. Ginocchio, Phys. Rev. Lett. 78, 436 (1997). 2) J. N. Ginocchio and A. Leviatan, Phys. Lett. B 425, 1 (1998). 3) J. N. Ginocchio and A. Leviatan, to be published in Phys. Rev. Lett. (2001). 4) J. N. Ginocchio and D. G. Madland, Phys. Rev. C 57, 1167 (1998).
Diffraction radiation from relativistic heavy ions
Potylitsyna, N. A.
2001-01-01
In recent years, the relativistic heavy ion beams at new accelerator facilities are allowed to obtain some new interesting results (see, for instance, Datz et al., Phys. Rev. Lett. 79 (18) (1997) 3355; Ladyrin et al., Nucl. Instr. and Meth. A 404 (1998) 129). The problem of non-destructive heavy ion beam diagnostics at these accelerators is highly pressing. The authors of the papers (Rule et al., Proceedings of the Seventh Beam Instrumentation Workshop, Argonne IL, AIP Conference Proceedings, Vol. 390, NY, 1997; Castellano, Nucl. Instr. and Meth. A 394 (1997) 275) suggested to use diffraction radiation (DR) appearing when a charge moves close to a conducting surface (Bolotovskii and Voskresenskii, Sov. Phys. Usp. 9 (1966) 73) for non-destructive electron beam diagnostics. The DR characteristics are defined by both Lorentz-factor and the particle charge, and do not depend on its mass. The estimation of feasibility of using DR for relativistic ion beam diagnostics is undoubtedly interesting.
Relativistic Magnetic Reconnection in the Laboratory
Raymond, A; McKelvey, A; Zulick, C; Alexander, N; Batson, T; Bhattacharjee, A; Campbell, P; Chen, H; Chvykov, V; Del Rio, E; Fitzsimmons, P; Fox, W; Hou, B; Maksimchuk, A; Mileham, C; Nees, J; Nilson, P M; Stoeckl, C; Thomas, A G R; Wei, M S; Yanovsky, V; Willingale, L; Krushelnick, K
2016-01-01
Magnetic reconnection is a fundamental plasma process involving an exchange of magnetic energy to plasma kinetic energy through changes in the magnetic field topology. In many astrophysical plasmas magnetic reconnection plays a key role in the release of large amounts of energy \\cite{hoshino1}, although making direct measurements is challenging in the case of high-energy astrophysical systems such as pulsar wind emissions \\cite{lyubarsky1}, gamma-ray bursts \\cite{thompson1}, and jets from active galactic nuclei \\cite{liu1}. Therefore, laboratory studies of magnetic reconnection provide an important platform for testing theories and characterising different regimes. Here we present experimental measurements as well as numerical modeling of relativistic magnetic reconnection driven by short-pulse, high-intensity lasers that produce relativistic plasma along with extremely strong magnetic fields. Evidence of magnetic reconnection was identified by the plasma's X-ray emission patterns, changes to the electron ene...
Hydrodynamic Approaches in Relativistic Heavy Ion Reactions
de Souza, Rafael Derradi; Kodama, Takeshi
2016-01-01
We review several facets of the hydrodynamic description of the relativistic heavy ion collisions, starting from the historical motivation to the present understandings of the observed collective aspects of experimental data, especially those of the most recent RHIC and LHC results. In this report, we particularly focus on the conceptual questions and the physical foundations of the validity of the hydrodynamic approach itself. We also discuss recent efforts to clarify some of the points in this direction, such as the various forms of derivations of relativistic hydrodynamics together with the limitations intrinsic to the traditional approaches, variational approaches, known analytic solutions for special cases, and several new theoretical developments. Throughout this review, we stress the role of course-graining procedure in the hydrodynamic description and discuss its relation with the physical observables through the analysis of a hydrodynamic mapping of a microscopic transport model. Several questions to...
Path integration in relativistic quantum mechanics
Redmount, I H; Redmount, Ian H.; Suen, Wai-Mo
1993-01-01
The simple physics of a free particle reveals important features of the path-integral formulation of relativistic quantum theories. The exact quantum-mechanical propagator is calculated here for a particle described by the simple relativistic action proportional to its proper time. This propagator is nonvanishing outside the light cone, implying that spacelike trajectories must be included in the path integral. The propagator matches the WKB approximation to the corresponding configuration-space path integral far from the light cone; outside the light cone that approximation consists of the contribution from a single spacelike geodesic. This propagator also has the unusual property that its short-time limit does not coincide with the WKB approximation, making the construction of a concrete skeletonized version of the path integral more complicated than in nonrelativistic theory.
Corrugation of relativistic magnetized shock waves
Lemoine, M; Gremillet, L
2016-01-01
As a shock front interacts with turbulence, it develops corrugation which induces outgoing wave modes in the downstream plasma. For a fast shock wave, the incoming wave modes can either be fast magnetosonic waves originating from downstream, outrunning the shock, or eigenmodes of the upstream plasma drifting through the shock. Using linear perturbation theory in relativistic MHD, this paper provides a general analysis of the corrugation of relativistic magnetized fast shock waves resulting from their interaction with small amplitude disturbances. Transfer functions characterizing the linear response for each of the outgoing modes are calculated as a function of the magnetization of the upstream medium and as a function of the nature of the incoming wave. Interestingly, if the latter is an eigenmode of the upstream plasma, we find that there exists a resonance at which the (linear) response of the shock becomes large or even diverges. This result may have profound consequences on the phenomenology of astrophys...
Relativistic Rotation: A Comparison of Theories
Klauber, R D
2006-01-01
Alternative theories of relativistic rotation considered viable as of 2004 are compared in the light of experiments reported in 2005. En route, the contentious issue of simultaneity choice in rotation is resolved by showing that only one simultaneity choice, the one possessing continuous time, gives rise, via the general relativistic equation of motion, to the correct Newtonian limit Coriolis acceleration. In addition, the widely dispersed argument purporting to justify an absolute Lorentz contraction in rotation is analyzed and found lacking for more than one reason. It is argued that only via experiment can we know whether such absolute contraction exists in rotation or not. The Coriolis/simultaneity correlation, and the results of the 2005 experiments, support the Selleri theory as being closest to the truth, though it is incomplete in a more general applicability sense, because it does not provide a global metric. Two alternatives, a modified Klauber approach and a Selleri-Klauber hybrid, are presented wh...
Relativistic-microwave theory of ball lightning.
Wu, H-C
2016-06-22
Ball lightning, a fireball sometimes observed during lightnings, has remained unexplained. Here we present a comprehensive theory for the phenomenon: At the tip of a lightning stroke reaching the ground, a relativistic electron bunch can be produced, which in turn excites intense microwave radiation. The latter ionizes the local air and the radiation pressure evacuates the resulting plasma, forming a spherical plasma bubble that stably traps the radiation. This mechanism is verified by particle simulations. The many known properties of ball lightning, such as the occurrence site, relation to the lightning channels, appearance in aircraft, its shape, size, sound, spark, spectrum, motion, as well as the resulting injuries and damages, are also explained. Our theory suggests that ball lighting can be created in the laboratory or triggered during thunderstorms. Our results should be useful for lightning protection and aviation safety, as well as stimulate research interest in the relativistic regime of microwave physics.
Anomalous magnetohydrodynamics in the extreme relativistic domain
Giovannini, Massimo
2016-01-01
The evolution equations of anomalous magnetohydrodynamics are derived in the extreme relativistic regime and contrasted with the treatment of hydromagnetic nonlinearities pioneered by Lichnerowicz in the absence of anomalous currents. In particular we explore the situation where the conventional vector currents are complemented by the axial-vector currents arising either from the pseudo Nambu-Goldstone bosons of a spontaneously broken symmetry or because of finite fermionic density effects. After expanding the generally covariant equations in inverse powers of the conductivity, the relativistic analog of the magnetic diffusivity equation is derived in the presence of vortical and magnetic currents. While the anomalous contributions are generally suppressed by the diffusivity, they are shown to disappear in the perfectly conducting limit. When the flow is irrotational, boost-invariant and with vanishing four-acceleration the corresponding evolution equations are explicitly integrated so that the various physic...
Instability of Extremal Relativistic Charged Spheres
Anninos, P; Anninos, Peter; Rothman, Tony
2002-01-01
With the question, ``Can relativistic charged spheres form extremal black holes?" in mind, we investigate the properties of such spheres from a classical point of view. The investigation is carried out numerically by integrating the Oppenheimer-Volkov equation for relativistic charged fluid spheres and finding interior Reissner-Nordstr\\"om solutions for these objects. We consider both constant density and adiabatic equations of state, as well as several possible charge distributions, and examine stability by both a normal mode and an energy analysis. In all cases, the stability limit for these spheres lies between the extremal ($Q = M$) limit and the black hole limit ($R = R_+$). That is, we find that charged spheres undergo gravitational collapse before they reach $Q = M$, suggesting that extremal Reissner-Nordtr\\"om black holes produced by collapse are ruled out. A general proof of this statement would support a strong form of the cosmic censorship hypothesis, excluding not only stable naked singularities, ...
Exact Relativistic Magnetized Haloes around Rotating Disks
Antonio C. Gutiérrez-Piñeres
2015-01-01
Full Text Available The study of the dynamics of magnetic fields in galaxies is one of important problems in formation and evolution of galaxies. In this paper, we present the exact relativistic treatment of a rotating disk surrounded by a magnetized material halo. The features of the halo and disk are described by the distributional energy-momentum tensor of a general fluid in canonical form. All the relevant quantities and the metric and electromagnetic potentials are exactly determined by an arbitrary harmonic function only. For instance, the generalized Kuzmin-disk potential is used. The particular class of solutions obtained is asymptotically flat and satisfies all the energy conditions. Moreover, the motion of a charged particle on the halo is described. As far as we know, this is the first relativistic model describing analytically the magnetized halo of a rotating disk.
The Relativistic framework of Positioning systems
Pascual-Sanchez, J -F
2007-01-01
Emission relativistic coordinates are a class of spacetime coordinates defined and generated by four emitters (satellites, pulsars) broadcasting their proper time by radio signals. They are the main ingredient of the simplest conceivable relativistic positioning system. The emission coordinates are independent of any observer. Receiving directly the proper time at emission of four satellites, any user or observer can measure the values of the emission coordinates, from which he/she can obtain his trajectory and hence, in particular, his position. Moreover, if and only if the four satellites also broadcast to the users the proper times they are receiving by cross-link autonavigation from the other emitters, the positioning system is called autolocated or autonomous. In an autolocated positioning system the trajectories of the satellites of the constellation can also be known by the users and they can also obtain the metric of the spacetime (the gravitational field) on the constellation. The study of autolocate...
The internal structure of magnetized relativistic jets
Martí, José M; Gómez, José L
2016-01-01
This work presents the first characterization of the internal structure of overpressured steady superfast magnetosonic relativistic jets in connection with their dominant type of energy. To this aim, relativistic magnetohydrodynamic simulations of different jet models threaded by a helical magnetic field have been analyzed covering a wide region in the magnetosonic Mach number - specific internal energy plane. The merit of this plane is that models dominated by different types of energy (internal energy: hot jets; rest-mass energy: kinetically dominated jets; magnetic energy: Poynting-flux dominated jets) occupy well separated regions. The analyzed models also cover a wide range of magnetizations. Models dominated by the internal energy (i.e., hot models, or Poynting-flux dominated jets with magnetizations larger than but close to 1) have a rich internal structure characterized by a series of recollimation shocks and present the largest variations in the flow Lorentz factor (and internal energy density). Conv...
Nonlinear waves in strongly interacting relativistic fluids
Fogaça, D A; Filho, L G Ferreira
2013-01-01
During the past decades the study of strongly interacting fluids experienced a tremendous progress. In the relativistic heavy ion accelerators, specially the RHIC and LHC colliders, it became possible to study not only fluids made of hadronic matter but also fluids of quarks and gluons. Part of the physics program of these machines is the observation of waves in this strongly interacting medium. From the theoretical point of view, these waves are often treated with li-nearized hydrodynamics. In this text we review the attempts to go beyond linearization. We show how to use the Reductive Perturbation Method to expand the equations of (ideal and viscous) relativistic hydrodynamics to obtain nonlinear wave equations. These nonlinear wave equations govern the evolution of energy density perturbations (in hot quark gluon plasma) or baryon density perturbations (in cold quark gluon plasma and nuclear matter). Different nonlinear wave equations, such as the breaking wave, Korteweg-de Vries and Burgers equations, are...
Relativistic quantum chemistry on quantum computers
Veis, L.; Visnak, J.; Fleig, T.
2012-01-01
The past few years have witnessed a remarkable interest in the application of quantum computing for solving problems in quantum chemistry more efficiently than classical computers allow. Very recently, proof-of-principle experimental realizations have been reported. However, so far only...... the nonrelativistic regime (i.e., the Schrodinger equation) has been explored, while it is well known that relativistic effects can be very important in chemistry. We present a quantum algorithm for relativistic computations of molecular energies. We show how to efficiently solve the eigenproblem of the Dirac......-Coulomb Hamiltonian on a quantum computer and demonstrate the functionality of the proposed procedure by numerical simulations of computations of the spin-orbit splitting in the SbH molecule. Finally, we propose quantum circuits with three qubits and nine or ten controlled-NOT (CNOT) gates, which implement a proof...
Relativistic dissipative hydrodynamics: where do we stand?
García-Perciante, A L; García-Colin, L S
2009-01-01
In this paper we analyze three different proposals that have been advanced to account for dissipative relativistic processes. Two of them are the so-called 'first order' theories of Eckart and Landau-Lifshitz, and a third one which is an extension of the classical Onsager-Meixner formulation of linear irreversible thermodynamics. We show that the two former ones, which are equivalent, do not obey the linear regression of fluctuations assumption which, besides being verified experimentally for the non-relativistic regime, lies at the heart of the proof of Onsager's reciprocity theorem. On the other hand, the third proposal is in agreement with such assumption. The consequence of these results, in particular those related to the so-called 'second order' theories, are thoroughly considered.
Exact relativistic theory of geoid's undulation
Kopeikin, Sergei; Karpik, Alexander
2014-01-01
Precise determination of geoid is one of the most important problem of physical geodesy. The present paper extends the Newtonian concept of the geoid to the realm of Einstein's general relativity and derives an exact relativistic equation for the unperturbed geoid and level surfaces under assumption of axisymmetric distribution of background matter in the core and mantle of the Earth. We consider Earth's crust as a small disturbance imposed on the background distribution of matter, and formulate the master equation for the anomalous gravity potential caused by this disturbance. We find out the gauge condition that drastically simplifies the master equation for the anomalous gravitational potential and reduces it to the form closely resembling the one in the Newtonian theory. The master equation gives access to the precise calculation of geoid's undulation with the full account for relativistic effects not limited to the post-Newtonian approximation. The geoid undulation theory, given in the present paper, uti...
Hydrodynamics of ultra-relativistic bubble walls
Leonardo Leitao
2016-04-01
Full Text Available In cosmological first-order phase transitions, gravitational waves are generated by the collisions of bubble walls and by the bulk motions caused in the fluid. A sizeable signal may result from fast-moving walls. In this work we study the hydrodynamics associated to the fastest propagation modes, namely, ultra-relativistic detonations and runaway solutions. We compute the energy injected by the phase transition into the fluid and the energy which accumulates in the bubble walls. We provide analytic approximations and fits as functions of the net force acting on the wall, which can be readily evaluated for specific models. We also study the back-reaction of hydrodynamics on the wall motion, and we discuss the extrapolation of the friction force away from the ultra-relativistic limit. We use these results to estimate the gravitational wave signal from detonations and runaway walls.
Newtonian Limits of the Relativistic Cosmological Perturbations
Hwang, J
1997-01-01
Relativistic cosmological perturbation analyses can be made based on several different fundamental gauge conditions. In the pressureless limit the variables in certain gauge conditions show the correct Newtonian behaviors. We consider the general curvature and the cosmological constant in the background medium. The perturbed density in the comoving gauge, and the perturbed velocity and the perturbed potential in the zero-shear gauge show the same behavior as the Newtonian ones in a general scale. Far inside horizon, except for the uniform-density gauge, density perturbations in all the fundamental gauge conditions show the correct Newtonian behavior. In this paper we elaborate these Newtonian correspondences. We also present the relativistic results considering general pressures in the background and perturbation.
Relativistic Bohmian mechanics without a preferred foliation
Galvan, Bruno
2015-01-01
In non-relativistic Bohmian mechanics the universe is represented by a probability space whose sample space is composed of the Bohmian trajectories. In relativistic Bohmian mechanics an entire class of empirically equivalent probability spaces can be defined, one for every foliation of spacetime. In the literature the hypothesis has been advanced that a single preferred foliation is allowed, and that this foliation derives from the universal wave function by means of a covariant law. In the present paper the opposite hypothesis is advanced, i.e., no law exists for the foliations and therefore all the foliations are allowed. The resulting model of the universe is basically the "union" of all the probability spaces associated with the foliations. This hypothesis is mainly motivated by the fact that any law defining a preferred foliation is empirically irrelevant. It is also argued that the absence of a preferred foliation may reduce the well known conflict between Bohmian mechanics and Relativity.