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Sample records for relativistic configuration-interaction ci

  1. Relativistic configuration-interaction calculation of the correlation energies of heliumlike ions. Revision 1

    International Nuclear Information System (INIS)

    Cheng, K.T.; Chen, M.H.; Johnson, W.R.

    1994-04-01

    A new relativistic configuration-interaction (CI) method using B-spline basis functions has been developed to study the correlation energies of two-electron heliumlike ions. Based on the relativistic no-pair Hamiltonian, the CI equation leads to a symmetric eigenvalue problem involving large, dense matrices. Davidson's method is used to obtain the lowest few eigenenergies and eigenfunctions. Results on transition energies and finite structure splittings for heliumlike ions are in very good agreement with experiment throughout the periodic table

  2. Relativistic configuration interaction treatment of generalized oscillator strength for krypton

    International Nuclear Information System (INIS)

    Wang Huangchun; Qu Yizhi; Liu Chunhua

    2007-01-01

    A fully relativistic configuration interaction method is developed to investigate the transition energies and general oscillator strengths of the lower lying states of krypton, for both optically allowed and optically forbidden transitions. The calculated results are in agreement with the recent experimental measurements. The calculated transition energies for the 5s and 5s' transitions are 9.970 and 10.717 eV, which agree with the experimental data of 10.033 and 10.643 eV. The calculated oscillator strengths are 0.211 and 0.170, comparable with the experimental results 0.214(±0.012) and 0.194 (±0.012), respectively. The momentum transfer positions (K 2 in a.u.) of the minimum and maximum GOSs in the 4s 2 4p 6 →4s 2 4p 5 (5s + 5s') transitions are 1.105 and 2.225, comparable with the measurements results 1.24 and 2.97. (authors)

  3. Relativistic Configuration Interaction Treatment of Generalized Oscillator Strength for Krypton

    Institute of Scientific and Technical Information of China (English)

    WANG Huang-Chun; QU Yi-Zhi; LIU Chun-Hua

    2007-01-01

    A fully relativistic configuration interaction method is developed to investigate the transition energies and general oscillator strengths of the lower lying states of krypton, for both optically allowed and optically forbidden transitions. The calculated results are in agreement with the recent experimental measurements. The calculated transition energies for the 5s and 5s' transitions are 9.970 and 10.717eV, which agree with the experimental data of 10.033 and 10.643 eV. The calculated oscillator strengths are 0.211 and 0.170, comparable with the experimental results 0.214(±0.012) and 0.194 (±0.012), respectively. The momentum transfer positions ( K2 in a.u.) of the minimum and maximum GOSs in the 4s24p6 → 4s24p5 (5s + 5s') transitions are 1.105 and 2.225, comparable with the measurements results 1.24 and 2.97 [Phys. Rev. A 67 (2003) 062708].

  4. Electronic spectra of DyF studied by four-component relativistic configuration interaction methods

    Energy Technology Data Exchange (ETDEWEB)

    Yamamoto, Shigeyoshi, E-mail: syamamot@lets.chukyo-u.ac.jp [School of International Liberal Studies, Chukyo University, 101-2 Yagoto-Honmachi, Showa-ku, Nagoya 466-8666 (Japan); Tatewaki, Hiroshi [Institute of Advanced Studies in Artificial Intelligence, Chukyo University, Toyota 470-0393 (Japan); Graduate School of Natural Sciences, Nagoya City University, Aichi 467-8501 (Japan)

    2015-03-07

    The electronic states of the DyF molecule below 3.0 eV are studied using 4-component relativistic CI methods. Spinors generated by the average-of-configuration Hartree-Fock method with the Dirac-Coulomb Hamiltonian were used in CI calculations by the KRCI (Kramers-restricted configuration interaction) program. The CI reference space was generated by distributing 11 electrons among the 11 Kramers pairs composed mainly of Dy [4f], [6s], [6p] atomic spinors, and double excitations are allowed from this space to the virtual molecular spinors. The CI calculations indicate that the ground state has the dominant configuration (4f{sup 9})(6s{sup 2})(Ω = 7.5). Above this ground state, 4 low-lying excited states (Ω = 8.5, 7.5, 7.5, 7.5) are found with dominant configurations (4f{sup 10})(6s). These results are consistent with the experimental studies of McCarthy et al. Above these 5 states, 2 states were observed at T{sub 0} = 2.39 eV, 2.52 eV by McCarthy et al. and were named as [19.3]8.5 and [20.3]8.5. McCarthy et al. proposed that both states have dominant configurations (4f{sup 9})(6s)(6p), but these configurations are not consistent with the large R{sub e}’s (∼3.9 a.u.) estimated from the observed rotational constants. The present CI calculations provide near-degenerate states of (4f{sup 10})(6p{sub 3/2,1/2}), (4f{sup 10})(6p{sub 3/2,3/2}), and (4f{sup 9})(6s)(6p{sub 3/2,1/2}) at around 3 eV. The former two states have larger R{sub e} (3.88 a.u.) than the third, so that it is reasonable to assign (4f{sup 10})(6p{sub 3/2,1/2}) to [19.3]8.5 and (4f{sup 10})(6p{sub 3/2,3/2}) to [20.3]8.5.

  5. Configuration-interaction relativistic-many-body-perturbation-theory calculations of photoionization cross sections from quasicontinuum oscillator strengths

    International Nuclear Information System (INIS)

    Savukov, I. M.; Filin, D. V.

    2014-01-01

    Many applications are in need of accurate photoionization cross sections, especially in the case of complex atoms. Configuration-interaction relativistic-many-body-perturbation theory (CI-RMBPT) has been successful in predicting atomic energies, matrix elements between discrete states, and other properties, which is quite promising, but it has not been applied to photoionization problems owing to extra complications arising from continuum states. In this paper a method that will allow the conversion of discrete CI-(R)MPBT oscillator strengths (OS) to photoionization cross sections with minimal modifications of the codes is introduced and CI-RMBPT cross sections of Ne, Ar, Kr, and Xe are calculated. A consistent agreement with experiment is found. RMBPT corrections are particularly significant for Ar, Kr, and Xe and improve agreement with experimental results compared to the particle-hole CI method. As a result, the demonstrated conversion method can be applied to CI-RMBPT photoionization calculations for a large number of multivalence atoms and ions

  6. Large-scale parallel configuration interaction. I. Nonrelativisticand scalar-relativistic general active space implementationwith application to (Rb-Ba)+

    DEFF Research Database (Denmark)

    Knecht, Stefan; Jensen, Hans Jørgen Aagaard; Fleig, Timo

    2008-01-01

    We present a parallel implementation of a string-driven general active space configuration interaction program for nonrelativistic and scalar-relativistic electronic-structure calculations. The code has been modularly incorporated in the DIRAC quantum chemistry program package. The implementation...

  7. Relativistic configuration interaction calculation on the ground and excited states of iridium monoxide

    International Nuclear Information System (INIS)

    Suo, Bingbing; Yu, Yan-Mei; Han, Huixian

    2015-01-01

    We present the fully relativistic multi-reference configuration interaction calculations of the ground and low-lying excited electronic states of IrO for individual spin-orbit component. The lowest-lying state is calculated for Ω = 1/2, 3/2, 5/2, and 7/2 in order to clarify the ground state of IrO. Our calculation suggests that the ground state is of Ω = 1/2, which is highly mixed with 4 Σ − and 2 Π states in Λ − S notation. The two low-lying states 5/2 and 7/2 are nearly degenerate with the ground state and locate only 234 and 260 cm −1 above, respectively. The equilibrium bond length 1.712 Å and the harmonic vibrational frequency 903 cm −1 of the 5/2 state are close to the experimental measurement of 1.724 Å and 909 cm −1 , which suggests that the 5/2 state should be the low-lying state that contributes to the experimental spectra. Moreover, the electronic states that give rise to the observed transition bands are assigned for Ω = 5/2 and 7/2 in terms of the obtained excited energies and oscillator strengths

  8. Relativistic configuration-interaction calculations of electric dipole n=2−n=3 transitions for medium-charge Li-like ions

    Energy Technology Data Exchange (ETDEWEB)

    Deng, Banglin, E-mail: banglindeng@yahoo.cn [Department of Applied Physics, Chengdu University of Technology, Chengdu 610059, Sichuan (China); Jiang, Gang [Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, Sichuan (China); Zhang, Chuanyu [Department of Applied Physics, Chengdu University of Technology, Chengdu 610059, Sichuan (China)

    2014-09-15

    In this work, the multi-configuration Dirac–Fock and relativistic configuration-interaction methods have been used to calculate the transition wavelengths, electric dipole transition probabilities, line strengths, and absorption oscillator strengths for the 2s–3p, 2p–3s, and 2p–3d transitions in Li-like ions with nuclear charge Z=7–30. Our calculated values are in good agreement with previous experimental and theoretical results. We took the contributions from Breit interaction, finite nuclear mass corrections, and quantum electrodynamics corrections to the initial and final levels into account, and also found that the contributions from Breit interaction, self-energy, and vacuum polarization grow fast with increasing nuclear charge for a fixed configuration. The ratio of the velocity to length form of the transition rate (A{sub v}/A{sub l}) was used to estimate the accuracy of our calculations.

  9. Configuration interaction in LTE spectra of heavy elements

    International Nuclear Information System (INIS)

    Bar-Shalom, A.; Oreg, J.; Goldstein, W.

    1992-11-01

    We present a method for including the effects of configuration interaction (CI) between relativistic subconfigurations of an electron configuration in the calculation of emission and absorption spectra of plasmas in local thermodynamic equilibrium (LTE). Analytical expressions for the correction to the intensities, owing to Cl, of an unresolved transition array (UTA) and of a supertransition array (STA) are obtained when the correction is small compared to the spin-orbit splitting, bypassing the need to diagonalize energy matrices. These expressions serve as working formulas in the STA model and, in addition, reveal a priori the conditions under which CI effects are significant. Examples of the effect are presented

  10. Combining the Complete Active Space Self-Consistent Field Method and the Full Configuration Interaction Quantum Monte Carlo within a Super-CI Framework, with Application to Challenging Metal-Porphyrins.

    Science.gov (United States)

    Li Manni, Giovanni; Smart, Simon D; Alavi, Ali

    2016-03-08

    A novel stochastic Complete Active Space Self-Consistent Field (CASSCF) method has been developed and implemented in the Molcas software package. A two-step procedure is used, in which the CAS configuration interaction secular equations are solved stochastically with the Full Configuration Interaction Quantum Monte Carlo (FCIQMC) approach, while orbital rotations are performed using an approximated form of the Super-CI method. This new method does not suffer from the strong combinatorial limitations of standard MCSCF implementations using direct schemes and can handle active spaces well in excess of those accessible to traditional CASSCF approaches. The density matrix formulation of the Super-CI method makes this step independent of the size of the CI expansion, depending exclusively on one- and two-body density matrices with indices restricted to the relatively small number of active orbitals. No sigma vectors need to be stored in memory for the FCIQMC eigensolver--a substantial gain in comparison to implementations using the Davidson method, which require three or more vectors of the size of the CI expansion. Further, no orbital Hessian is computed, circumventing limitations on basis set expansions. Like the parent FCIQMC method, the present technique is scalable on massively parallel architectures. We present in this report the method and its application to the free-base porphyrin, Mg(II) porphyrin, and Fe(II) porphyrin. In the present study, active spaces up to 32 electrons and 29 orbitals in orbital expansions containing up to 916 contracted functions are treated with modest computational resources. Results are quite promising even without accounting for the correlation outside the active space. The systems here presented clearly demonstrate that large CASSCF calculations are possible via FCIQMC-CASSCF without limitations on basis set size.

  11. Pushing configuration-interaction to the limit

    DEFF Research Database (Denmark)

    Vogiatzis, Konstantinos D.; Ma, Dongxia; Olsen, Jeppe

    2017-01-01

    A new large-scale parallel multiconfigurational self-consistent field (MCSCF) implementation in the open-source NWChem computational chemistry code is presented. The generalized active space (GAS) approach is used to partition large configuration interaction (CI) vectors and generate a sufficient...

  12. Complex coordinate rotation and relativistic Hylleraas-CI: helium isoelectronic series

    International Nuclear Information System (INIS)

    Pestka, G; Bylicki, M; Karwowski, J

    2007-01-01

    A combination of the Hylleraas-CI (Hy-CI) and complex coordinate rotation (CCR) methods has been applied to study the nuclear charge dependence of the eigenvalues of the Dirac-Coulomb (DC) Hamiltonian corresponding to the ground states of helium isoelectronic series atoms. It has been shown that the CCR, due to the separation of the localized states from the unphysical Brown-Ravenhall continuum, removes the instabilities of the bound-state eigenvalues observed in large-basis set Hy-CI results. The Hy-CI-CCR results are in very good agreement with the most accurate ones available in the literature. Surprisingly, the difference between the DC Hy-CI-CCR eigenvalues and the eigenvalues of the positive-energy projected no-pair Hamiltonian is equal, up to the numerical accuracy of the results, to (Zα) 3 /6π, i.e. to (Zα) 3 relativistic many-body perturbation theory contribution for electron-electron Coulomb interaction operator. An excellent agreement between the Hy-CI-CCR eigenvalues shifted by (Zα) 3 /6π and the no-pair ones confirms the very high accuracy achieved in both approaches. The numerical accuracy of the Hy-CI-CCR DC eigenvalues is estimated to eight significant figures

  13. Kramers Pairs in configuration interaction

    DEFF Research Database (Denmark)

    Avery, John Scales; Avery, James Emil

    2003-01-01

    The theory of symmetry-preserving Kramers pair creation operators is reviewed and formulas for applying these operators to configuration interaction calculations are derived. A new and more general type of symmetry-preserving pair creation operator is proposed and shown to commute with the total ...

  14. Hylleraas-Configuration Interaction study of the 1S ground state of the negative Li ion.

    Science.gov (United States)

    Sims, James S

    2017-12-28

    In a previous work Sims and Hagstrom [J. Chem. Phys. 140, 224312 (2014)] reported Hylleraas-Configuration Interaction (Hy-CI) method variational calculations for the neutral atom and positive ion 1 S ground states of the beryllium isoelectronic sequence. The Li - ion, nominally the first member of this series, has a decidedly different electronic structure. This paper reports the results of a large, comparable calculation for the Li - ground state to explore how well the Hy-CI method can represent the more diffuse L shell of Li - which is representative of the Be(2sns) excited states as well. The best non-relativistic energy obtained was -7.500 776 596 hartree, indicating that 10 - 20 nh accuracy is attainable in Hy-CI and that convergence of the r 12 r 34 double cusp is fast and that this correlation type can be accurately represented within the Hy-CI model.

  15. Configuration interaction calculations and excitation rates of X-ray and EUV transitions in sulfurlike manganese

    Energy Technology Data Exchange (ETDEWEB)

    El-Maaref, A.A., E-mail: ahmed.maaref@azhar.edu.eg; Saddeek, Y.B.; Abou halaka, M.M.

    2017-02-15

    Highlights: • Fine-structure calculations of sulfurlike Mn have been performed using configuration interaction technique, CI. • The relativistic effects, Breit-Pauli Hameltonian, have been correlated to the CI calculations. • Excitation rates by electron impact of the Mn X ion have been evaluated up to ionization potential. - Abstract: Fine-structure calculations of energies and transition parameters have been performed using the configuration interaction technique (CI) as implemented in CIV3 code for sulfurlike manganese, Mn X. The calculations are executed in an intermediate coupling scheme using the Breit-Pauli Hamiltonian. As well as, energy levels and oscillator strengths are calculated using LANL code, where the calculations by LANL have been used to estimate the accuracy of the present CI calculations. The calculated energy levels, oscillator strengths, and lifetimes are in reasonable agreement with the published experimental and theoretical values. Electron impact excitation rates of the transitions emit soft X-ray and extreme ultraviolet (EUV) wavelengths have been evaluated. The level population densities are calculated using the collisional radiative model (CRM), as well. The collisional excitation rates and collision strengths have been calculated in the electron temperature range ≤ the ionization potential, ∼1–250 eV.

  16. Variational configuration interaction methods and comparison with perturbation theory

    International Nuclear Information System (INIS)

    Pople, J.A.; Seeger, R.; Krishnan, R.

    1977-01-01

    A configuration interaction (CI) procedure which includes all single and double substitutions from an unrestricted Hartree-Fock single determinant is described. This has the feature that Moller-Plesset perturbation results to second and third order are obtained in the first CI iterative cycle. The procedure also avoids the necessity of a full two-electron integral transformation. A simple expression for correcting the final CI energy for lack of size consistency is proposed. Finally, calculations on a series of small molecules are presented to compare these CI methods with perturbation theory

  17. Determination of orbitals for use in configuration interaction calculations

    International Nuclear Information System (INIS)

    Dunning, T.H. Jr.; Davidson, E.R.; Ruedenberg, K.; Hinze, J.

    1978-01-01

    For a full configuration interaction (CI) calculation the choice of orbitals is completely irrelevant, i.e., the calculated wavefunction is unaffected by an arbitrary unitary transformation of the orbitals; it depends only on the space spanned by the original basis set. For most chemical systems it is not possible to realistically carry out a full CI calculation, so that specification of the orbital set is important. Even for less-than-full CI calculations, it can be shown, however, that for certain types of calculations the wavefunction is unaffected by restricted transformations among the orbital set. For example, for CI calculations based on a single configuration plus a complete set of excitations of a given type (single, double, etc.), the calculated wavefunction is independent of transformations among the set of occupied orbitals and among the set of virtual orbitals. The wavefunction does, however, depend on transformations which mix the occupied and virtual orbitals

  18. CONFIGURATION-INTERACTION IN NI METAL AND NI-ALLOYS AND HIGH-ENERGY SPECTROSCOPY

    NARCIS (Netherlands)

    TANAKA, A; JO, T; SAWATZKY, GA

    We discuss the electronic state of Ni atoms in Ni metal and of Ni impurity in Cu and Au metals from the viewpoint of 3d configuration interaction (CI) using the Anderson impurity model including atomic multiplets. On the basis of the discussion, we give an interpretation for the Ni 2p-core X-ray

  19. Multireference configuration interaction calculations of the first six ionization potentials of the uranium atom

    Energy Technology Data Exchange (ETDEWEB)

    Bross, David H.; Parmar, Payal; Peterson, Kirk A., E-mail: kipeters@wsu.edu [Department of Chemistry, Washington State University, Pullman, Washington 99164-4630 (United States)

    2015-11-14

    The first 6 ionization potentials (IPs) of the uranium atom have been calculated using multireference configuration interaction (MRCI+Q) with extrapolations to the complete basis set limit using new all-electron correlation consistent basis sets. The latter was carried out with the third-order Douglas-Kroll-Hess Hamiltonian. Correlation down through the 5s5p5d electrons has been taken into account, as well as contributions to the IPs due to the Lamb shift. Spin-orbit coupling contributions calculated at the 4-component Kramers restricted configuration interaction level, as well as the Gaunt term computed at the Dirac-Hartree-Fock level, were added to the best scalar relativistic results. The final ionization potentials are expected to be accurate to at least 5 kcal/mol (0.2 eV) and thus more reliable than the current experimental values of IP{sub 3} through IP{sub 6}.

  20. Photoabsorption in sodium clusters: first principles configuration interaction calculations

    Science.gov (United States)

    Priya, Pradip Kumar; Rai, Deepak Kumar; Shukla, Alok

    2017-05-01

    We present systematic and comprehensive correlated-electron calculations of the linear photoabsorption spectra of small neutral closed- and open-shell sodium clusters (Nan, n = 2 - 6), as well as closed-shell cation clusters (Nan+, n = 3, 5). We have employed the configuration interaction (CI) methodology at the full CI (FCI) and quadruple CI (QCI) levels to compute the ground, and the low-lying excited states of the clusters. For most clusters, besides the minimum energy structures, we also consider their energetically close isomers. The photoabsorption spectra were computed under the electric-dipole approximation, employing the dipole-matrix elements connecting the ground state with the excited states of each isomer. Our calculations were tested rigorously for convergence with respect to the basis set, as well as with respect to the size of the active orbital space employed in the CI calculations. These calculations reveal that as far as electron-correlation effects are concerned, core excitations play an important role in determining the optimized ground state geometries of various clusters, thereby requiring all-electron correlated calculations. But, when it comes to low-lying optical excitations, only valence electron correlation effects play an important role, and excellent agreement with the experimental results is obtained within the frozen-core approximation. For the case of Na6, the largest cluster studied in this work, we also discuss the possibility of occurrence of plasmonic resonance in the optical absorption spectrum. Supplementary material in the form of one pdf file available from the Journal web page at http://https://doi.org/10.1140/epjd/e2017-70728-3

  1. Symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster studies of electronically excited states of copper tetrachloride and copper tetrabromide dianions

    International Nuclear Information System (INIS)

    Ehara, Masahiro; Piecuch, Piotr; Lutz, Jesse J.; Gour, Jeffrey R.

    2012-01-01

    Graphical abstract: Electronically excited states of CuCl 4 2- and CuBr 4 2- are determined using the scalar relativistic symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster calculations. The results are compared with experimental spectra. Highlights: ► Electronic spectra of CuCl 4 2- and CuBr 4 2- are examined by SAC-CI and EOMCC methods. ► Relativistic SAC-CI and EOMCC results are compared with experimental spectra. ► An assignment of bands in the CuCl 4 2- and CuBr 4 2- absorption spectra is obtained. ► Relativistic effects affect excitation energies and ground-state geometries. ► The effect of relativity on the oscillator strengths is generally small. - Abstract: The valence excitation spectra of the copper tetrachloride and copper tetrabromide open-shell dianions, CuCl 4 2- and CuBr 4 2- , respectively, are investigated by a variety of symmetry-adapted-cluster configuration-interaction (SAC-CI) and equation-of-motion coupled-cluster (EOMCC) methods. The valence excited states of the CuCl 4 2- and CuBr 4 2- species that correspond to transitions from doubly occupied molecular orbitals (MOs) to a singly occupied MO (SOMO), for which experimental spectra are available, are examined with the ionized (IP) variants of the SAC-CI and EOMCC methods. The higher-energy excited states of CuCl 4 2- and CuBr 4 2- that correspond to transitions from SOMO to unoccupied MOs, which have not been characterized experimentally, are determined using the electron-attached (EA) SAC-CI and EOMCC approaches. An emphasis is placed on the scalar relativistic SAC-CI and EOMCC calculations based on the spin-free part of the second-order Douglass–Kroll–Hess Hamiltonian (DKH2) and on a comparison of the results of the IP and EA SAC-CI and EOMCC calculations with up to 2-hole-1-particle (2h-1p) and 2-particle-1-hole (2p-1h) excitations, referred to as the IP-SAC-CI SD-R and IP-EOMCCSD(2h-1p) methods in the IP case and EA-SAC-CI SD-R and EA

  2. A High Performance Block Eigensolver for Nuclear Configuration Interaction Calculations

    International Nuclear Information System (INIS)

    Aktulga, Hasan Metin; Afibuzzaman, Md.; Williams, Samuel; Buluc, Aydin; Shao, Meiyue

    2017-01-01

    As on-node parallelism increases and the performance gap between the processor and the memory system widens, achieving high performance in large-scale scientific applications requires an architecture-aware design of algorithms and solvers. We focus on the eigenvalue problem arising in nuclear Configuration Interaction (CI) calculations, where a few extreme eigenpairs of a sparse symmetric matrix are needed. Here, we consider a block iterative eigensolver whose main computational kernels are the multiplication of a sparse matrix with multiple vectors (SpMM), and tall-skinny matrix operations. We then present techniques to significantly improve the SpMM and the transpose operation SpMM T by using the compressed sparse blocks (CSB) format. We achieve 3-4× speedup on the requisite operations over good implementations with the commonly used compressed sparse row (CSR) format. We develop a performance model that allows us to correctly estimate the performance of our SpMM kernel implementations, and we identify cache bandwidth as a potential performance bottleneck beyond DRAM. We also analyze and optimize the performance of LOBPCG kernels (inner product and linear combinations on multiple vectors) and show up to 15× speedup over using high performance BLAS libraries for these operations. The resulting high performance LOBPCG solver achieves 1.4× to 1.8× speedup over the existing Lanczos solver on a series of CI computations on high-end multicore architectures (Intel Xeons). We also analyze the performance of our techniques on an Intel Xeon Phi Knights Corner (KNC) processor.

  3. Robust and Efficient Spin Purification for Determinantal Configuration Interaction.

    Science.gov (United States)

    Fales, B Scott; Hohenstein, Edward G; Levine, Benjamin G

    2017-09-12

    The limited precision of floating point arithmetic can lead to the qualitative and even catastrophic failure of quantum chemical algorithms, especially when high accuracy solutions are sought. For example, numerical errors accumulated while solving for determinantal configuration interaction wave functions via Davidson diagonalization may lead to spin contamination in the trial subspace. This spin contamination may cause the procedure to converge to roots with undesired ⟨Ŝ 2 ⟩, wasting computer time in the best case and leading to incorrect conclusions in the worst. In hopes of finding a suitable remedy, we investigate five purification schemes for ensuring that the eigenvectors have the desired ⟨Ŝ 2 ⟩. These schemes are based on projection, penalty, and iterative approaches. All of these schemes rely on a direct, graphics processing unit-accelerated algorithm for calculating the S 2 c matrix-vector product. We assess the computational cost and convergence behavior of these methods by application to several benchmark systems and find that the first-order spin penalty method is the optimal choice, though first-order and Löwdin projection approaches also provide fast convergence to the desired spin state. Finally, to demonstrate the utility of these approaches, we computed the lowest several excited states of an open-shell silver cluster (Ag 19 ) using the state-averaged complete active space self-consistent field method, where spin purification was required to ensure spin stability of the CI vector coefficients. Several low-lying states with significant multiply excited character are predicted, suggesting the value of a multireference approach for modeling plasmonic nanomaterials.

  4. Configuration interaction wave functions: A seniority number approach

    International Nuclear Information System (INIS)

    Alcoba, Diego R.; Torre, Alicia; Lain, Luis; Massaccesi, Gustavo E.; Oña, Ofelia B.

    2014-01-01

    This work deals with the configuration interaction method when an N-electron Hamiltonian is projected on Slater determinants which are classified according to their seniority number values. We study the spin features of the wave functions and the size of the matrices required to formulate states of any spin symmetry within this treatment. Correlation energies associated with the wave functions arising from the seniority-based configuration interaction procedure are determined for three types of molecular orbital basis: canonical molecular orbitals, natural orbitals, and the orbitals resulting from minimizing the expectation value of the N-electron seniority number operator. The performance of these bases is analyzed by means of numerical results obtained from selected N-electron systems of several spin symmetries. The comparison of the results highlights the efficiency of the molecular orbital basis which minimizes the mean value of the seniority number for a state, yielding energy values closer to those provided by the full configuration interaction procedure

  5. Configuration interaction wave functions: A seniority number approach

    Energy Technology Data Exchange (ETDEWEB)

    Alcoba, Diego R. [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Torre, Alicia; Lain, Luis, E-mail: qfplapel@lg.ehu.es [Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644, E-48080 Bilbao (Spain); Massaccesi, Gustavo E. [Departamento de Ciencias Exactas, Ciclo Básico Común, Universidad de Buenos Aires, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Oña, Ofelia B. [Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900 La Plata (Argentina)

    2014-06-21

    This work deals with the configuration interaction method when an N-electron Hamiltonian is projected on Slater determinants which are classified according to their seniority number values. We study the spin features of the wave functions and the size of the matrices required to formulate states of any spin symmetry within this treatment. Correlation energies associated with the wave functions arising from the seniority-based configuration interaction procedure are determined for three types of molecular orbital basis: canonical molecular orbitals, natural orbitals, and the orbitals resulting from minimizing the expectation value of the N-electron seniority number operator. The performance of these bases is analyzed by means of numerical results obtained from selected N-electron systems of several spin symmetries. The comparison of the results highlights the efficiency of the molecular orbital basis which minimizes the mean value of the seniority number for a state, yielding energy values closer to those provided by the full configuration interaction procedure.

  6. Large-scale parallel configuration interaction. II. Two- and four-component double-group general active space implementation with application to BiH

    DEFF Research Database (Denmark)

    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...

  7. Configuration interaction effect on open M shell Fe and Ni LTE spectral opacities, Rosseland and Planck means

    International Nuclear Information System (INIS)

    Gilles, D; Busquet, M; Gilleron, F; Pain, J-C; Klapisch, M

    2016-01-01

    We have recently shown that iron and nickel open M-shell opacity spectra, up to Δn = 2 are very sensitive to Configuration Interaction (CI) treatments at temperature around 15 eV and for various densities. To do so we had compared extensive CI calculations obtained with two opacity codes HULLAC-v9 and SCO-RCG. In this work we extend these comparisons to a first evaluation of CI effects on Rosseland and Planck means. (paper)

  8. Spin--orbit configuration-interaction study of valence and Rydberg states of LiBe

    International Nuclear Information System (INIS)

    Marino, M.M.; Ermler, W.C.; Kern, C.W.; Bondybey, V.E.

    1992-01-01

    Ab initio spin--orbit full configuration-interaction calculations in the context of relativistic effective core potentials are reported for the weakly bound metal dimer LiBe, a three-valence-electron system. The effects of basis set on the energies of valence and Rydberg states of the cluster are discussed, as are the effects of configuration space selection on the energy of the latter states. Results at the dissociative limit are compared to the experimental atomic spectra. Potential-energy curves and spectroscopic constants are presented for the ground state and fourteen excited states, which includes the Li and Be 2p valence states, the Li 3s, 3p, 3d, and 4s Rydberg states, as well as three low-lying states of the molecular cation

  9. Configuration interaction calculations of positron binding to Be(3P )

    International Nuclear Information System (INIS)

    Bromley, M.W.J.; Mitroy, J.

    2006-01-01

    The configuration interaction method is applied to investigate the possibility of positron binding to the metastable beryllium (1s 2 2s2p 3 P ) state. The largest calculation obtained an estimated energy that was unstable by 0.00014 Hartree with respect to the Ps + Be + (2s) lowest dissociation channel. It is likely that positron binding to parent states with non-zero angular momentum is inhibited by centrifugal barriers

  10. Effects of configuration interaction on photoabsorption spectra in the continuum

    International Nuclear Information System (INIS)

    Komninos, Yannis; Nicolaides, Cleanthes A.

    2004-01-01

    It is pointed out that the proper interpretation of a recently published experimental spectrum from the multilaser photoionization of Sr [Eichmann et al., Phys. Rev. Lett. 90, 233004 (2003)] must account for a radiative transition between two autoionizing states. The application of orthonormality selection rules and of configuration-interaction theory involving the continuous spectrum and the quasicontinuum of the upper part of Rydberg series explains quantitatively the appearance, the shape, and the variation of heights of the observed peaks of resonances

  11. Electric dipole moment of diatomic molecules by configuration interaction. IV.

    Science.gov (United States)

    Green, S.

    1972-01-01

    The theory of basis set dependence in configuration interaction calculations is discussed, taking into account a perturbation model which is valid for small changes in the self-consistent field orbitals. It is found that basis set corrections are essentially additive through first order. It is shown that an error found in a previously published dipole moment calculation by Green (1972) for the metastable first excited state of CO was indeed due to an inadequate basis set as claimed.

  12. Nuclear deformation in the configuration-interaction shell model

    Science.gov (United States)

    Alhassid, Y.; Bertsch, G. F.; Gilbreth, C. N.; Mustonen, M. T.

    2018-02-01

    We review a method that we recently introduced to calculate the finite-temperature distribution of the axial quadrupole operator in the laboratory frame using the auxiliary-field Monte Carlo technique in the framework of the configuration-interaction shell model. We also discuss recent work to determine the probability distribution of the quadrupole shape tensor as a function of intrinsic deformation β,γ by expanding its logarithm in quadrupole invariants. We demonstrate our method for an isotope chain of samarium nuclei whose ground states describe a crossover from spherical to deformed shapes.

  13. Coupled-Cluster and Configuration-Interaction Calculations for Heavy Nuclei

    International Nuclear Information System (INIS)

    Horoi, M.; Gour, J. R.; Wloch, M.; Lodriguito, M. D.; Brown, B. A.; Piecuch, P.

    2007-01-01

    We compare coupled-cluster (CC) and configuration-interaction (CI) results for 56 Ni obtained in the pf-shell basis, focusing on practical CC approximations that can be applied to systems with dozens or hundreds of correlated fermions. The weight of the reference state and the strength of correlation effects are controlled by the gap between the f 7/2 orbit and the f 5/2 , p 3/2 , p 1/2 orbits. Independent of the gap, the CC method with 1p-1h and 2p-2h clusters and a noniterative treatment of 3p-3h clusters is as accurate as the more demanding CI approach truncated at the 4p-4h level

  14. Configuration interaction calculations for the region of 76Ge

    Science.gov (United States)

    Brown, Alex

    2017-09-01

    I will present a short history of the configuration interaction Hamiltonians that have been developed for the (0f5 / 2 , 1p3 / 2 , 1p1 / 2 , 0g9 / 2) (jj 44) model space. This model space is appropriate for the region of nuclei bounded by the nickel isotopes for Z = 28 and the isotones with N = 50 . I will discuss results for the double-beta decay of 76Ge that lies in the jj 44 region. I will show results for the structure of nuclei around 76Ge for some selected data from gamma decay, Gamow-Teller beta decay, charge-exchange reactions, one-nucleon transfer reactions, and two-nucleon transfer reactions. This work was supported by NSF Grant PHY-1404442.

  15. Accelerating Full Configuration Interaction Calculations for Nuclear Structure

    International Nuclear Information System (INIS)

    Yang, Chao; Sternberg, Philip; Maris, Pieter; Ng, Esmond; Sosonkina, Masha; Le, Hung Viet; Vary, James; Yang, Chao

    2008-01-01

    One of the emerging computational approaches in nuclear physics is the full configuration interaction (FCI) method for solving the many-body nuclear Hamiltonian in a sufficiently large single-particle basis space to obtain exact answers - either directly or by extrapolation. The lowest eigenvalues and corresponding eigenvectors for very large, sparse and unstructured nuclear Hamiltonian matrices are obtained and used to evaluate additional experimental quantities. These matrices pose a significant challenge to the design and implementation of efficient and scalable algorithms for obtaining solutions on massively parallel computer systems. In this paper, we describe the computational strategies employed in a state-of-the-art FCI code MFDn (Many Fermion Dynamics - nuclear) as well as techniques we recently developed to enhance the computational efficiency of MFDn. We will demonstrate the current capability of MFDn and report the latest performance improvement we have achieved. We will also outline our future research directions

  16. Configuration interaction in charge exchange spectra of tin and xenon

    Science.gov (United States)

    D'Arcy, R.; Morris, O.; Ohashi, H.; Suda, S.; Tanuma, H.; Fujioka, S.; Nishimura, H.; Nishihara, K.; Suzuki, C.; Kato, T.; Koike, F.; O'Sullivan, G.

    2011-06-01

    Charge-state-specific extreme ultraviolet spectra from both tin ions and xenon ions have been recorded at Tokyo Metropolitan University. The electron cyclotron resonance source spectra were produced from charge exchange collisions between the ions and rare gas target atoms. To identify unknown spectral lines of tin and xenon, atomic structure calculations were performed for Sn14+-Sn17+ and Xe16+-Xe20+ using the Hartree-Fock configuration interaction code of Cowan (1981 The Theory of Atomic Structure and Spectra (Berkeley, CA: University of California Press)). The energies of the capture states involved in the single-electron process that occurs in these slow collisions were estimated using the classical over-barrier model.

  17. Convergence of configuration-interaction single-center calculations of positron-atom interactions

    International Nuclear Information System (INIS)

    Mitroy, J.; Bromley, M. W. J.

    2006-01-01

    The configuration interaction (CI) method using orbitals centered on the nucleus has recently been applied to calculate the interactions of positrons interacting with atoms. Computational investigations of the convergence properties of binding energy, phase shift, and annihilation rate with respect to the maximum angular momentum of the orbital basis for the e + Cu and PsH bound states, and the e + -H scattering system were completed. The annihilation rates converge very slowly with angular momentum, and moreover the convergence with radial basis dimension appears to be slower for high angular momentum. A number of methods of completing the partial wave sum are compared; an approach based on a ΔX J =a(J+(1/2)) -n +b(J+(1/2)) -(n+1) form [with n=4 for phase shift (or energy) and n=2 for the annihilation rate] seems to be preferred on considerations of utility and underlying physical justification

  18. On the performance of atomic natural orbital basis sets: A full configuration interaction study

    International Nuclear Information System (INIS)

    Illas, F.; Ricart, J.M.; Rubio, J.; Bagus, P.S.

    1990-01-01

    The performance of atomic natural orbital (ANO) basis sets has been studied by comparing self-consistant field (SCF) and full configuration interaction (CI) results obtained for the first row atoms and hydrides. The ANO results have been compared with those obtained using a segmented basis set containing the same number of contracted basis functions. The total energies obtained with the ANO basis sets are always lower than the one obtained by using the segmented one. However, for the hydrides, differential electronic correlation energy obtained with the ANO basis set may be smaller than the one recovered with the segmented set. We relate this poorer differential correlation energy for the ANO basis set to the fact that only one contracted d function is used for the ANO and segmented basis sets

  19. Large-dimension configuration-interaction calculations of positron binding to the group-II atoms

    International Nuclear Information System (INIS)

    Bromley, M. W. J.; Mitroy, J.

    2006-01-01

    The configuration-interaction (CI) method is applied to the calculation of the structures of a number of positron binding systems, including e + Be, e + Mg, e + Ca, and e + Sr. These calculations were carried out in orbital spaces containing about 200 electron and 200 positron orbitals up to l=12. Despite the very large dimensions, the binding energy and annihilation rate converge slowly with l, and the final values do contain an appreciable correction obtained by extrapolating the calculation to the l→∞ limit. The binding energies were 0.00317 hartree for e + Be, 0.0170 hartree for e + Mg, 0.0189 hartree for e + Ca, and 0.0131 hartree for e + Sr

  20. Charge transfer dynamics from adsorbates to surfaces with single active electron and configuration interaction based approaches

    Energy Technology Data Exchange (ETDEWEB)

    Ramakrishnan, Raghunathan, E-mail: r.ramakrishnan@unibas.ch [Institute of Physical Chemistry, National Center for Computational Design and Discovery of Novel Materials (MARVEL), Department of Chemistry, University of Basel, Klingelbergstrasse 80, CH-4056 Basel (Switzerland); Nest, Mathias [Theoretische Chemie, Technische Universität München, Lichtenbergstr. 4, 85747 Garching (Germany)

    2015-01-13

    Highlights: • We model electron dynamics across cyano alkanethiolates attached to gold cluster. • We present electron transfer time scales from TD-DFT and TD-CI based simulations. • Both DFT and CI methods qualitatively predict the trend in time scales. • TD-CI predicts the experimental relative time scale very accurately. - Abstract: We employ wavepacket simulations based on many-body time-dependent configuration interaction (TD-CI), and single active electron theories, to predict the ultrafast molecule/metal electron transfer time scales, in cyano alkanethiolates bonded to model gold clusters. The initial states represent two excited states where a valence electron is promoted to one of the two virtual π{sup ∗} molecular orbitals localized on the cyanide fragment. The ratio of the two time scales indicate the efficiency of one charge transfer channel over the other. In both our one-and many-electron simulations, this ratio agree qualitatively with each other as well as with the previously reported experimental time scales (Blobner et al., 2012), measured for a macroscopic metal surface. We study the effect of cluster size and the description of electron correlation on the charge transfer process.

  1. Leadership Class Configuration Interaction Code - Status and Opportunities

    Science.gov (United States)

    Vary, James

    2011-10-01

    With support from SciDAC-UNEDF (www.unedf.org) nuclear theorists have developed and are continuously improving a Leadership Class Configuration Interaction Code (LCCI) for forefront nuclear structure calculations. The aim of this project is to make state-of-the-art nuclear structure tools available to the entire community of researchers including graduate students. The project includes codes such as NuShellX, MFDn and BIGSTICK that run a range of computers from laptops to leadership class supercomputers. Codes, scripts, test cases and documentation have been assembled, are under continuous development and are scheduled for release to the entire research community in November 2011. A covering script that accesses the appropriate code and supporting files is under development. In addition, a Data Base Management System (DBMS) that records key information from large production runs and archived results of those runs has been developed (http://nuclear.physics.iastate.edu/info/) and will be released. Following an outline of the project, the code structure, capabilities, the DBMS and current efforts, I will suggest a path forward that would benefit greatly from a significant partnership between researchers who use the codes, code developers and the National Nuclear Data efforts. This research is supported in part by DOE under grant DE-FG02-87ER40371 and grant DE-FC02-09ER41582 (SciDAC-UNEDF).

  2. A sparse matrix based full-configuration interaction algorithm

    International Nuclear Information System (INIS)

    Rolik, Zoltan; Szabados, Agnes; Surjan, Peter R.

    2008-01-01

    We present an algorithm related to the full-configuration interaction (FCI) method that makes complete use of the sparse nature of the coefficient vector representing the many-electron wave function in a determinantal basis. Main achievements of the presented sparse FCI (SFCI) algorithm are (i) development of an iteration procedure that avoids the storage of FCI size vectors; (ii) development of an efficient algorithm to evaluate the effect of the Hamiltonian when both the initial and the product vectors are sparse. As a result of point (i) large disk operations can be skipped which otherwise may be a bottleneck of the procedure. At point (ii) we progress by adopting the implementation of the linear transformation by Olsen et al. [J. Chem Phys. 89, 2185 (1988)] for the sparse case, getting the algorithm applicable to larger systems and faster at the same time. The error of a SFCI calculation depends only on the dropout thresholds for the sparse vectors, and can be tuned by controlling the amount of system memory passed to the procedure. The algorithm permits to perform FCI calculations on single node workstations for systems previously accessible only by supercomputers

  3. Exponentially more precise quantum simulation of fermions in the configuration interaction representation

    Science.gov (United States)

    Babbush, Ryan; Berry, Dominic W.; Sanders, Yuval R.; Kivlichan, Ian D.; Scherer, Artur; Wei, Annie Y.; Love, Peter J.; Aspuru-Guzik, Alán

    2018-01-01

    We present a quantum algorithm for the simulation of molecular systems that is asymptotically more efficient than all previous algorithms in the literature in terms of the main problem parameters. As in Babbush et al (2016 New Journal of Physics 18, 033032), we employ a recently developed technique for simulating Hamiltonian evolution using a truncated Taylor series to obtain logarithmic scaling with the inverse of the desired precision. The algorithm of this paper involves simulation under an oracle for the sparse, first-quantized representation of the molecular Hamiltonian known as the configuration interaction (CI) matrix. We construct and query the CI matrix oracle to allow for on-the-fly computation of molecular integrals in a way that is exponentially more efficient than classical numerical methods. Whereas second-quantized representations of the wavefunction require \\widetilde{{ O }}(N) qubits, where N is the number of single-particle spin-orbitals, the CI matrix representation requires \\widetilde{{ O }}(η ) qubits, where η \\ll N is the number of electrons in the molecule of interest. We show that the gate count of our algorithm scales at most as \\widetilde{{ O }}({η }2{N}3t).

  4. New developments in multireference and complete configuration interaction calculations

    International Nuclear Information System (INIS)

    Knowles, P.J.; Werner, H.J.

    1987-01-01

    Some recently developed techniques for the calculation of Hamiltonian matrix elements in molecular electronic structure calculations are described. These techniques allow the very rapid calculation, in any desired order, of one particle coupling coefficients between spin symmetry adapted basis functions of arbitrary structure. The matrix elements that are required, for either internally contracted multireference CI calculations, or full CI calculations, are then obtainable from suitable summations over resolutions of the identity, which has been shown previously to be rather efficient; this is especially true on vector computers, since all arithmetic can be formulated as matrix multiplications. These ideas have culminated in the preparation of a new multireference CI program which is capable of handling very large numbers of reference configurations. Application of the new techniques to full CI calculations are also presented

  5. Multireference configuration interaction treatment of potential energy surfaces: symmetric dissociation of H/sub 2/O in a double-zeta basis

    Energy Technology Data Exchange (ETDEWEB)

    Brown, F B; Shavitt, I; Shepard, R

    1984-03-23

    Multiconfiguration self-consistent fields (SCF) and multireference configurational interaction (CI) calculations have been performed for the H/sub 2/O molecule in a double-zeta basis for four symmetric geometries, for comparison with full CI results. Unlike single-reference results, the energy errors are almost independent of geometry, allowing unbiased treatments of potential energy surfaces. 35 references, 1 figure, 2 tables.

  6. CI Implementation

    DEFF Research Database (Denmark)

    Jørgensen, Frances; Boer, Harry; Laugen, Bjørge Timenes

    2006-01-01

    There are a number of tools available for organizations wishing to measure and subsequently develop Continuous Improvement (CI). In this article, we review and evaluate a well-accepted CI development model, namely the CI Maturity Model (Bessant and Caffyn, 1997), against data collected from the 2nd...... Continuous Improvement Network Survey and a number of empirical cases described in the literature. While the CI Maturity Model suggests that CI maturation ought to be a linear process, the findings in this article suggest that there are feasible alternatives for companies to develop CI capability....

  7. Using full configuration interaction quantum Monte Carlo in a seniority zero space to investigate the correlation energy equivalence of pair coupled cluster doubles and doubly occupied configuration interaction

    International Nuclear Information System (INIS)

    Shepherd, James J.; Henderson, Thomas M.; Scuseria, Gustavo E.

    2016-01-01

    Over the past few years, pair coupled cluster doubles (pCCD) has shown promise for the description of strong correlation. This promise is related to its apparent ability to match results from doubly occupied configuration interaction (DOCI), even though the latter method has exponential computational cost. Here, by modifying the full configuration interaction quantum Monte Carlo algorithm to sample only the seniority zero sector of Hilbert space, we show that the DOCI and pCCD energies are in agreement for a variety of 2D Hubbard models, including for systems well out of reach for conventional configuration interaction algorithms. Our calculations are aided by the sign problem being much reduced in the seniority zero space compared with the full space. We present evidence for this and then discuss the sign problem in terms of the wave function of the system which appears to have a simplified sign structure.

  8. Parallel implementation and performance optimization of the configuration-interaction method

    Energy Technology Data Exchange (ETDEWEB)

    Shan, H; Williams, S; Johnson, C; McElvain, K; Ormand, WE

    2015-11-20

    The configuration-interaction (CI) method, long a popular approach to describe quantum many-body systems, is cast as a very large sparse matrix eigenpair problem with matrices whose dimension can exceed one billion. Such formulations place high demands on memory capacity and memory bandwidth - - two quantities at a premium today. In this paper, we describe an efficient, scalable implementation, BIGSTICK, which, by factorizing both the basis and the interaction into two levels, can reconstruct the nonzero matrix elements on the fly, reduce the memory requirements by one or two orders of magnitude, and enable researchers to trade reduced resources for increased computational time. We optimize BIGSTICK on two leading HPC platforms - - the Cray XC30 and the IBM Blue Gene/Q. Specifically, we not only develop an empirically-driven load balancing strategy that can evenly distribute the matrix-vector multiplication across 256K threads, we also developed techniques that improve the performance of the Lanczos reorthogonalization. Combined, these optimizations improved performance by 1.3-8× depending on platform and configuration.

  9. Optimizing Sparse Matrix-Multiple Vectors Multiplication for Nuclear Configuration Interaction Calculations

    Energy Technology Data Exchange (ETDEWEB)

    Aktulga, Hasan Metin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Buluc, Aydin [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Williams, Samuel [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States); Yang, Chao [Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)

    2014-08-14

    Obtaining highly accurate predictions on the properties of light atomic nuclei using the configuration interaction (CI) approach requires computing a few extremal Eigen pairs of the many-body nuclear Hamiltonian matrix. In the Many-body Fermion Dynamics for nuclei (MFDn) code, a block Eigen solver is used for this purpose. Due to the large size of the sparse matrices involved, a significant fraction of the time spent on the Eigen value computations is associated with the multiplication of a sparse matrix (and the transpose of that matrix) with multiple vectors (SpMM and SpMM-T). Existing implementations of SpMM and SpMM-T significantly underperform expectations. Thus, in this paper, we present and analyze optimized implementations of SpMM and SpMM-T. We base our implementation on the compressed sparse blocks (CSB) matrix format and target systems with multi-core architectures. We develop a performance model that allows us to understand and estimate the performance characteristics of our SpMM kernel implementations, and demonstrate the efficiency of our implementation on a series of real-world matrices extracted from MFDn. In particular, we obtain 3-4 speedup on the requisite operations over good implementations based on the commonly used compressed sparse row (CSR) matrix format. The improvements in the SpMM kernel suggest we may attain roughly a 40% speed up in the overall execution time of the block Eigen solver used in MFDn.

  10. Relativistic Calculations for Be-like Iron

    International Nuclear Information System (INIS)

    Yang Jianhui; Zhang Jianping; Li Ping; Li Huili

    2008-01-01

    Relativistic configuration interaction calculations for the states of 1s 2 2s 2 , 1s 2 2s3l (l = s,p,d) and 1s 2 2p3l (l = s,p,d) configurations of iron are carried out using relativistic configuration interaction (RCI) and multi-configuration Dirac-Fock (MCDF) method in the active interaction approach. In the present calculation, a large-scale configuration expansion was used in describing the target states. These results are extensively compared with other available calculative and experimental and observed values, the corresponding present results are in good agreement with experimental and observed values, and some differences are found with other available calculative values. Because more relativistic effects are considered than before, the present results should be more accurate and reliable

  11. Adaptive vibrational configuration interaction (A-VCI): A posteriori error estimation to efficiently compute anharmonic IR spectra

    Science.gov (United States)

    Garnier, Romain; Odunlami, Marc; Le Bris, Vincent; Bégué, Didier; Baraille, Isabelle; Coulaud, Olivier

    2016-05-01

    A new variational algorithm called adaptive vibrational configuration interaction (A-VCI) intended for the resolution of the vibrational Schrödinger equation was developed. The main advantage of this approach is to efficiently reduce the dimension of the active space generated into the configuration interaction (CI) process. Here, we assume that the Hamiltonian writes as a sum of products of operators. This adaptive algorithm was developed with the use of three correlated conditions, i.e., a suitable starting space, a criterion for convergence, and a procedure to expand the approximate space. The velocity of the algorithm was increased with the use of a posteriori error estimator (residue) to select the most relevant direction to increase the space. Two examples have been selected for benchmark. In the case of H2CO, we mainly study the performance of A-VCI algorithm: comparison with the variation-perturbation method, choice of the initial space, and residual contributions. For CH3CN, we compare the A-VCI results with a computed reference spectrum using the same potential energy surface and for an active space reduced by about 90%.

  12. Ci PERMIT

    CERN Multimedia

    Relations with the Host States Service

    1999-01-01

    The Swiss Permanent Mission to the International Organisations at Geneva recalls that only the spouses and children of members of personnel resident in Switzerland and in possession of a legitimation card of types 'B', 'C', 'D' or 'E' issued by the Swiss Federal Department of Foreign Affairs are entitled to benefit from a Ci Permit.The 'demande d'attestation de permis Ci' (request for a Ci permit attestation) can be sent to the Mission only through Personnel Division (Administrative Services, Office 33/1-025).Additional information on access by family members of CERN officials to the Swiss labour market are available to you on the Web site of the Relations with the Host States Service (cf. document entitled 'Employment in Switzerland for spouses and children of CERN officials' dated March 1996).Relations with the Host States Servicehttp://www.cern.ch/relations/Tel. 72848

  13. Ukaegbe, CI

    African Journals Online (AJOL)

    Ukaegbe, CI. Vol 11, No 1-2 (2012) - Articles Postpartum Depression Among Igbo Women In An Urban Mission Hospital, South East Nigeria Abstract. ISSN: 1597-1260. AJOL African Journals Online. HOW TO USE AJOL... for Researchers · for Librarians · for Authors · FAQ's · More about AJOL · AJOL's Partners · Terms and ...

  14. Multireference configuration interaction study on spectroscopic properties of low-lying electronic states of As2 molecule

    International Nuclear Information System (INIS)

    Wang Jie-Min; Liu Qiang

    2013-01-01

    The potential energy curves (PECs) of four electronic states (X 1 Σ g + , e 3 Δ u , a 3 Σ u − , and d 3 Π g ) of an As 2 molecule are investigated employing the complete active space self-consistent field (CASSCF) method followed by the valence internally contracted multireference configuration interaction (MRCI) approach in conjunction with the correlation-consistent aug-cc-pV5Z basis set. The effect on PECs by the relativistic correction is taken into account. The way to consider the relativistic correction is to employ the second-order Douglas-Kroll Hamiltonian approximation. The correction is made at the level of a cc-pV5Z basis set. The PECs of the electronic states involved are extrapolated to the complete basis set limit. With the PECs, the spectroscopic parameters (T e , R e , ω e , ω e x e , ω e y e , α e , β e , γ e , and B e ) of these electronic states are determined and compared in detail with those reported in the literature. Excellent agreement is found between the present results and the experimental data. The first 40 vibrational states are studied for each electronic state when the rotational quantum number J equals zero. In addition, the vibrational levels, inertial rotation and centrifugal distortion constants of d 3 Π g electronic state are reported which are in excellent agreement with the available measurements. Comparison with the experimental data shows that the present results are both reliable and accurate. (atomic and molecular physics)

  15. A hybrid configuration interaction treatment based on seniority number and excitation schemes

    International Nuclear Information System (INIS)

    Alcoba, Diego R.; Capuzzi, Pablo; Torre, Alicia; Lain, Luis; Oña, Ofelia B.; Van Raemdonck, Mario; Bultinck, Patrick; Van Neck, Dimitri

    2014-01-01

    We present a configuration interaction method in which the Hamiltonian of an N-electron system is projected on Slater determinants selected according to the seniority-number criterion along with the traditional excitation-based procedure. This proposed method is especially useful to describe systems which exhibit dynamic (weak) correlation at determined geometric arrangements (where the excitation-based procedure is more suitable) but show static (strong) correlation at other arrangements (where the seniority-number technique is preferred). The hybrid method amends the shortcomings of both individual determinant selection procedures, yielding correct shapes of potential energy curves with results closer to those provided by the full configuration interaction method

  16. A hybrid configuration interaction treatment based on seniority number and excitation schemes

    Energy Technology Data Exchange (ETDEWEB)

    Alcoba, Diego R.; Capuzzi, Pablo [Departamento de Física, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires and Instituto de Física de Buenos Aires, Consejo Nacional de Investigaciones Científicas y Técnicas, Ciudad Universitaria, 1428 Buenos Aires (Argentina); Torre, Alicia; Lain, Luis, E-mail: qfplapel@lg.ehu.es [Departamento de Química Física, Facultad de Ciencia y Tecnología, Universidad del País Vasco, Apdo. 644 E-48080 Bilbao (Spain); Oña, Ofelia B. [Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas, Universidad Nacional de La Plata, CCT La Plata, Consejo Nacional de Investigaciones Científicas y Técnicas, Diag. 113 y 64 (S/N), Sucursal 4, CC 16, 1900 La Plata (Argentina); Van Raemdonck, Mario; Bultinck, Patrick [Department of Inorganic and Physical Chemistry, Ghent University, Krijgslaan 281 (S3), 9000 Gent (Belgium); Van Neck, Dimitri [Center for Molecular Modelling, Ghent University, Technologiepark 903, 9052 Zwijnaarde (Belgium)

    2014-12-28

    We present a configuration interaction method in which the Hamiltonian of an N-electron system is projected on Slater determinants selected according to the seniority-number criterion along with the traditional excitation-based procedure. This proposed method is especially useful to describe systems which exhibit dynamic (weak) correlation at determined geometric arrangements (where the excitation-based procedure is more suitable) but show static (strong) correlation at other arrangements (where the seniority-number technique is preferred). The hybrid method amends the shortcomings of both individual determinant selection procedures, yielding correct shapes of potential energy curves with results closer to those provided by the full configuration interaction method.

  17. The electronic states of 1,2,3-triazole studied by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy, and a comparison with ab initio configuration interaction methods

    DEFF Research Database (Denmark)

    Palmer, Michael H.; Hoffmann, Søren Vrønning; Jones, Nykola C.

    2011-01-01

    The Rydberg states in the vacuum ultraviolet photoabsorption spectrum of 1,2,3-triazole have been measured and analyzed with the aid of comparison to the UV valence photoelectron ionizations and the results of ab initio configuration interaction (CI) calculations. Calculated electronic ionization...... and excitation energies for singlet, triplet valence, and Rydberg states were obtained using multireference multiroot CI procedures with an aug-cc-pVTZ [5s3p3d1f] basis set and a set of Rydberg [4s3p3d3f] functions. Adiabatic excitation energies obtained for several electronic states using coupled...... are the excitations consistent with an f-series....

  18. CI+MBPT calculations of Ar I energies, g factors, and transition line strengths

    Science.gov (United States)

    Savukov, I. M.

    2018-03-01

    Excited states of noble gas atoms present certain challenges to atomic theory for several reasons: first, relativistic effects are important and LS coupling is not optimal; second, energy intervals can be quite small, leading to strong mixing of states; third, many-body perturbation theory for hole states does not converge well. Previously, some attempts were made to solve this problem, using for example the all-order coupled-cluster approach and particle-hole configuration-interaction many-body perturbation theory (CI-MBPT) with modified denominators. However, while these approaches were promising, the accuracy was still limited. In this paper, we calculate Ar I energies, g factors, and transition amplitudes using ab initio CI-MBPT with eight valence electrons to avoid the problem of slow convergence of MBPT due to strong interaction between 3p and 3s states. We also included in CI many dominant states obtained by double excitations of the ground state configuration. Thus perturbation corrections were needed only for 1s, 2s, 2p core electrons non-included in valence-valence CI, which are quite small. We found that energy, g factors, and electric dipole matrix elements are in reasonable agreement with experiments. It is noteworthy that the theory agreed well with accurately measured g factors. Experimental oscillator strengths have large uncertainty, so in some cases we made a comparison with average values.

  19. Electronic excitation of molecules in solution calculated using the symmetry-adapted cluster–configuration interaction method in the polarizable continuum model

    International Nuclear Information System (INIS)

    Fukuda, Ryoichi; Ehara, Masahiro

    2015-01-01

    The effects from solvent environment are specific to the electronic states; therefore, a computational scheme for solvent effects consistent with the electronic states is necessary to discuss electronic excitation of molecules in solution. The PCM (polarizable continuum model) SAC (symmetry-adapted cluster) and SAC-CI (configuration interaction) methods are developed for such purposes. The PCM SAC-CI adopts the state-specific (SS) solvation scheme where solvent effects are self-consistently considered for every ground and excited states. For efficient computations of many excited states, we develop a perturbative approximation for the PCM SAC-CI method, which is called corrected linear response (cLR) scheme. Our test calculations show that the cLR PCM SAC-CI is a very good approximation of the SS PCM SAC-CI method for polar and nonpolar solvents

  20. Global characteristics of atomic spectra and their use for the analysis of spectra. IV. Configuration interaction effects

    International Nuclear Information System (INIS)

    Kucas, S.; Jonauskas, V.; Karazija, R.

    1997-01-01

    For pt.III see ibid., vol.52, p.639, 1995. Changes of the moments of atomic spectrum due to configuration interaction (CI), the CI strength, the average shift of the energy of a level due to its interaction with all levels of distant configuration and other global characteristics of CI effects in atoms are systematised and their expressions presented. The results of the calculation of those characteristics for the energy level spectra of the 3s3p 3 + 3s 2 3p3d configurations in Si isoelectronic series, 3p 5 3d N + 3p 6 3d N-2 4p + 3p 6 3d N-2 4f (N = 5, 6, 7, 8) in Cr, Mn, Fe and Co isoelectronic series, ns 2 np N + np N+2 at n = 2 - 5 and N = 2 - 4 in neutral atoms as well as for the characteristic emission spectra corresponding to the 3p 5 3d 9 + 3d 7 4p → 3d 8 transitions as well as for the Auger M 4.3 N 1 N 2.3 spectra in Kr and N 4.5 O 1 O 2.3 in Xe are given and compared with the same characteristics of the more complete experimental spectra. (orig.)

  1. Relativistic equations

    International Nuclear Information System (INIS)

    Gross, F.

    1986-01-01

    Relativistic equations for two and three body scattering are discussed. Particular attention is paid to relativistic three body kinetics because of recent form factor measurements of the Helium 3 - Hydrogen 3 system recently completed at Saclay and Bates and the accompanying speculation that relativistic effects are important for understanding the three nucleon system. 16 refs., 4 figs

  2. Nuclear structure calculations in $^{20}$Ne with No-Core Configuration-Interaction model

    OpenAIRE

    Konieczka, Maciej; Satuła, Wojciech

    2016-01-01

    Negative parity states in $^{20}$Ne and Gamow-Teller strength distribution for the ground-state beta-decay of $^{20}$Na are calculated for the very first time using recently developed No-Core Configuration-Interaction model. The approach is based on multi-reference density functional theory involving isospin and angular-momentum projections. Advantages and shortcomings of the method are briefly discussed.

  3. Configuration interaction calculations of positron binding to Be({sup 3}P )

    Energy Technology Data Exchange (ETDEWEB)

    Bromley, M.W.J. [Department of Physics, San Diego State University, San Diego, CA 92182 (United States)]. E-mail: mbromley@physics.sdsu.edu; Mitroy, J. [Faculty of Technology, Charles Darwin University, Darwin, NT 0909 (Australia)]. E-mail: jxm107@rsphysse.anu.edu.au

    2006-06-15

    The configuration interaction method is applied to investigate the possibility of positron binding to the metastable beryllium (1s{sup 2}2s2p {sup 3}P ) state. The largest calculation obtained an estimated energy that was unstable by 0.00014 Hartree with respect to the Ps + Be{sup +}(2s) lowest dissociation channel. It is likely that positron binding to parent states with non-zero angular momentum is inhibited by centrifugal barriers.

  4. Deterministic alternatives to the full configuration interaction quantum Monte Carlo method for strongly correlated systems

    Science.gov (United States)

    Tubman, Norm; Whaley, Birgitta

    The development of exponential scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, allows exact diagonalization through stochastically sampling of determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, together with a stochastic projected wave function, which are used to explore the important parts of Hilbert space. However, a stochastic representation of the wave function is not required to search Hilbert space efficiently and new deterministic approaches have recently been shown to efficiently find the important parts of determinant space. We shall discuss the technique of Adaptive Sampling Configuration Interaction (ASCI) and the related heat-bath Configuration Interaction approach for ground state and excited state simulations. We will present several applications for strongly correlated Hamiltonians. This work was supported through the Scientific Discovery through Advanced Computing (SciDAC) program funded by the U.S. Department of Energy, Office of Science, Advanced Scientific Computing Research and Basic Energy Sciences.

  5. Relativistic astrophysics

    CERN Document Server

    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

  6. An open-source framework for analyzing N-electron dynamics. II. Hybrid density functional theory/configuration interaction methodology.

    Science.gov (United States)

    Hermann, Gunter; Pohl, Vincent; Tremblay, Jean Christophe

    2017-10-30

    In this contribution, we extend our framework for analyzing and visualizing correlated many-electron dynamics to non-variational, highly scalable electronic structure method. Specifically, an explicitly time-dependent electronic wave packet is written as a linear combination of N-electron wave functions at the configuration interaction singles (CIS) level, which are obtained from a reference time-dependent density functional theory (TDDFT) calculation. The procedure is implemented in the open-source Python program detCI@ORBKIT, which extends the capabilities of our recently published post-processing toolbox (Hermann et al., J. Comput. Chem. 2016, 37, 1511). From the output of standard quantum chemistry packages using atom-centered Gaussian-type basis functions, the framework exploits the multideterminental structure of the hybrid TDDFT/CIS wave packet to compute fundamental one-electron quantities such as difference electronic densities, transient electronic flux densities, and transition dipole moments. The hybrid scheme is benchmarked against wave function data for the laser-driven state selective excitation in LiH. It is shown that all features of the electron dynamics are in good quantitative agreement with the higher-level method provided a judicious choice of functional is made. Broadband excitation of a medium-sized organic chromophore further demonstrates the scalability of the method. In addition, the time-dependent flux densities unravel the mechanistic details of the simulated charge migration process at a glance. © 2017 Wiley Periodicals, Inc. © 2017 Wiley Periodicals, Inc.

  7. Understanding and improving the efficiency of full configuration interaction quantum Monte Carlo.

    Science.gov (United States)

    Vigor, W A; Spencer, J S; Bearpark, M J; Thom, A J W

    2016-03-07

    Within full configuration interaction quantum Monte Carlo, we investigate how the statistical error behaves as a function of the parameters which control the stochastic sampling. We define the inefficiency as a measure of the statistical error per particle sampling the space and per time step and show there is a sizeable parameter regime where this is minimised. We find that this inefficiency increases sublinearly with Hilbert space size and can be reduced by localising the canonical Hartree-Fock molecular orbitals, suggesting that the choice of basis impacts the method beyond that of the sign problem.

  8. Understanding and improving the efficiency of full configuration interaction quantum Monte Carlo

    Energy Technology Data Exchange (ETDEWEB)

    Vigor, W. A.; Bearpark, M. J. [Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Spencer, J. S. [Department of Physics, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Department of Materials, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); Thom, A. J. W. [Department of Chemistry, Imperial College London, Exhibition Road, London SW7 2AZ (United Kingdom); University Chemical Laboratory, Lensfield Road, Cambridge CB2 1EW (United Kingdom)

    2016-03-07

    Within full configuration interaction quantum Monte Carlo, we investigate how the statistical error behaves as a function of the parameters which control the stochastic sampling. We define the inefficiency as a measure of the statistical error per particle sampling the space and per time step and show there is a sizeable parameter regime where this is minimised. We find that this inefficiency increases sublinearly with Hilbert space size and can be reduced by localising the canonical Hartree–Fock molecular orbitals, suggesting that the choice of basis impacts the method beyond that of the sign problem.

  9. Communication: An adaptive configuration interaction approach for strongly correlated electrons with tunable accuracy

    Energy Technology Data Exchange (ETDEWEB)

    Schriber, Jeffrey B.; Evangelista, Francesco A. [Department of Chemistry and Cherry L. Emerson Center for Scientific Computation, Emory University, Atlanta, Georgia 30322 (United States)

    2016-04-28

    We introduce a new procedure for iterative selection of determinant spaces capable of describing highly correlated systems. This adaptive configuration interaction (ACI) determines an optimal basis by an iterative procedure in which the determinant space is expanded and coarse grained until self-consistency. Two importance criteria control the selection process and tune the ACI to a user-defined level of accuracy. The ACI is shown to yield potential energy curves of N{sub 2} with nearly constant errors, and it predicts singlet-triplet splittings of acenes up to decacene that are in good agreement with the density matrix renormalization group.

  10. Non-orthogonal configuration interaction for the calculation of multielectron excited states

    Energy Technology Data Exchange (ETDEWEB)

    Sundstrom, Eric J., E-mail: eric.jon.sundstrom@berkeley.edu; Head-Gordon, Martin [Department of Chemistry, University of California Berkeley, Berkeley, California 94720, USA and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

    2014-03-21

    We apply Non-orthogonal Configuration Interaction (NOCI) to molecular systems where multielectron excitations, in this case double excitations, play a substantial role: the linear polyenes and β-carotene. We demonstrate that NOCI when applied to systems with extended conjugation, provides a qualitatively correct wavefunction at a fraction of the cost of many other multireference treatments. We also present a new extension to this method allowing for purification of higher-order spin states by utilizing Generalized Hartree-Fock Slater determinants and the details for computing 〈S{sup 2}〉 for the ground and excited states.

  11. Analytic nuclear forces and molecular properties from full configuration interaction quantum Monte Carlo

    International Nuclear Information System (INIS)

    Thomas, Robert E.; Overy, Catherine; Opalka, Daniel; Alavi, Ali; Knowles, Peter J.; Booth, George H.

    2015-01-01

    Unbiased stochastic sampling of the one- and two-body reduced density matrices is achieved in full configuration interaction quantum Monte Carlo with the introduction of a second, “replica” ensemble of walkers, whose population evolves in imaginary time independently from the first and which entails only modest additional computational overheads. The matrices obtained from this approach are shown to be representative of full configuration-interaction quality and hence provide a realistic opportunity to achieve high-quality results for a range of properties whose operators do not necessarily commute with the Hamiltonian. A density-matrix formulated quasi-variational energy estimator having been already proposed and investigated, the present work extends the scope of the theory to take in studies of analytic nuclear forces, molecular dipole moments, and polarisabilities, with extensive comparison to exact results where possible. These new results confirm the suitability of the sampling technique and, where sufficiently large basis sets are available, achieve close agreement with experimental values, expanding the scope of the method to new areas of investigation

  12. Accelerating nuclear configuration interaction calculations through a preconditioned block iterative eigensolver

    Science.gov (United States)

    Shao, Meiyue; Aktulga, H. Metin; Yang, Chao; Ng, Esmond G.; Maris, Pieter; Vary, James P.

    2018-01-01

    We describe a number of recently developed techniques for improving the performance of large-scale nuclear configuration interaction calculations on high performance parallel computers. We show the benefit of using a preconditioned block iterative method to replace the Lanczos algorithm that has traditionally been used to perform this type of computation. The rapid convergence of the block iterative method is achieved by a proper choice of starting guesses of the eigenvectors and the construction of an effective preconditioner. These acceleration techniques take advantage of special structure of the nuclear configuration interaction problem which we discuss in detail. The use of a block method also allows us to improve the concurrency of the computation, and take advantage of the memory hierarchy of modern microprocessors to increase the arithmetic intensity of the computation relative to data movement. We also discuss the implementation details that are critical to achieving high performance on massively parallel multi-core supercomputers, and demonstrate that the new block iterative solver is two to three times faster than the Lanczos based algorithm for problems of moderate sizes on a Cray XC30 system.

  13. Electric dipole moment of diatomic molecules by configuration interaction. V - Two states of /2/Sigma/+/ symmetry in CN.

    Science.gov (United States)

    Green, S.

    1972-01-01

    Previous accurate dipole moment calculation techniques are modified to be applicable to higher excited states of symmetry. The self-consistent fields and configuration interactions are calculated for the X(2)Sigma(+) and B(2)Sigma(+) states of CN. Spin hyperfine constants and spin density at the nucleus are considered in the context of one-electron operator properties. The values of the self-consistent field and configuration interaction for the spin density are compared with experimental values for several diatomic molecules.

  14. Electron correlation within the relativistic no-pair approximation

    Energy Technology Data Exchange (ETDEWEB)

    Almoukhalalati, Adel; Saue, Trond, E-mail: trond.saue@irsamc.ups-tlse.fr [Laboratoire de Chimie et Physique Quantique, UMR 5626 CNRS — Université Toulouse III-Paul Sabatier, 118 route de Narbonne, F-31062 Toulouse (France); Knecht, Stefan [ETH Zürich, Laboratorium für Physikalische Chemie, Vladimir-Prelog-Weg 2, 8093 Zürich (Switzerland); Jensen, Hans Jørgen Aa. [Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Campusvej 55, DK-5230 Odense M (Denmark); Dyall, Kenneth G. [Dirac Solutions, 10527 NW Lost Park Drive, Portland, Oregon 97229 (United States)

    2016-08-21

    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

  15. An excited-state approach within full configuration interaction quantum Monte Carlo

    International Nuclear Information System (INIS)

    Blunt, N. S.; Smart, Simon D.; Booth, George H.; Alavi, Ali

    2015-01-01

    We present a new approach to calculate excited states with the full configuration interaction quantum Monte Carlo (FCIQMC) method. The approach uses a Gram-Schmidt procedure, instantaneously applied to the stochastically evolving distributions of walkers, to orthogonalize higher energy states against lower energy ones. It can thus be used to study several of the lowest-energy states of a system within the same symmetry. This additional step is particularly simple and computationally inexpensive, requiring only a small change to the underlying FCIQMC algorithm. No trial wave functions or partitioning of the space is needed. The approach should allow excited states to be studied for systems similar to those accessible to the ground-state method due to a comparable computational cost. As a first application, we consider the carbon dimer in basis sets up to quadruple-zeta quality and compare to existing results where available

  16. Photochemistry of ethylene: A multireference configuration interaction investigation of the excited-state energy surfaces

    International Nuclear Information System (INIS)

    Barbatti, M.; Paier, J.; Lischka, H.

    2004-01-01

    Multireference configuration interaction with singles and doubles (MR-CISD) calculations have been performed for the optimization of conical intersections and stationary points on the ethylene excited-state energy surfaces using recently developed methods for the computation of analytic gradients and nonadiabatic coupling terms. Basis set dependence and the effect of various choices of reference spaces for the MR-CISD calculations have been investigated. The crossing seam between the S 0 and S 1 states has been explored in detail. This seam connects all conical intersections presently known for ethylene. Major emphasis has been laid on the hydrogen-migration path. Starting in the V state of twisted-orthogonal ethylene, a barrierless path to ethylidene was found. The feasibility of ethylidene formation will be important for the explanation of the relative yield of cis and trans H 2 elimination

  17. Large-scale ab initio configuration interaction calculations for light nuclei

    International Nuclear Information System (INIS)

    Maris, Pieter; Potter, Hugh; Vary, James P; Aktulga, H Metin; Ng, Esmond G; Yang Chao; Caprio, Mark A; Çatalyürek, Ümit V; Saule, Erik; Oryspayev, Dossay; Sosonkina, Masha; Zhou Zheng

    2012-01-01

    In ab-initio Configuration Interaction calculations, the nuclear wavefunction is expanded in Slater determinants of single-nucleon wavefunctions and the many-body Schrodinger equation becomes a large sparse matrix problem. The challenge is to reach numerical convergence to within quantified numerical uncertainties for physical observables using finite truncations of the infinite-dimensional basis space. We discuss strategies for constructing and solving the resulting large sparse matrix eigenvalue problems on current multicore computer architectures. Several of these strategies have been implemented in the code MFDn, a hybrid MPI/OpenMP Fortran code for ab-initio nuclear structure calculations that can scale to 100,000 cores and more. Finally, we will conclude with some recent results for 12 C including emerging collective phenomena such as rotational band structures using SRG evolved chiral N3LO interactions.

  18. Unbiased reduced density matrices and electronic properties from full configuration interaction quantum Monte Carlo

    International Nuclear Information System (INIS)

    Overy, Catherine; Blunt, N. S.; Shepherd, James J.; Booth, George H.; Cleland, Deidre; Alavi, Ali

    2014-01-01

    Properties that are necessarily formulated within pure (symmetric) expectation values are difficult to calculate for projector quantum Monte Carlo approaches, but are critical in order to compute many of the important observable properties of electronic systems. Here, we investigate an approach for the sampling of unbiased reduced density matrices within the full configuration interaction quantum Monte Carlo dynamic, which requires only small computational overheads. This is achieved via an independent replica population of walkers in the dynamic, sampled alongside the original population. The resulting reduced density matrices are free from systematic error (beyond those present via constraints on the dynamic itself) and can be used to compute a variety of expectation values and properties, with rapid convergence to an exact limit. A quasi-variational energy estimate derived from these density matrices is proposed as an accurate alternative to the projected estimator for multiconfigurational wavefunctions, while its variational property could potentially lend itself to accurate extrapolation approaches in larger systems

  19. Ab initio/interpolated quantum dynamics on coupled electronic states with full configuration interaction wave functions

    International Nuclear Information System (INIS)

    Thompson, K.; Martinez, T.J.

    1999-01-01

    We present a new approach to first-principles molecular dynamics that combines a general and flexible interpolation method with ab initio evaluation of the potential energy surface. This hybrid approach extends significantly the domain of applicability of ab initio molecular dynamics. Use of interpolation significantly reduces the computational effort associated with the dynamics over most of the time scale of interest, while regions where potential energy surfaces are difficult to interpolate, for example near conical intersections, are treated by direct solution of the electronic Schroedinger equation during the dynamics. We demonstrate the concept through application to the nonadiabatic dynamics of collisional electronic quenching of Li(2p). Full configuration interaction is used to describe the wave functions of the ground and excited electronic states. The hybrid approach agrees well with full ab initio multiple spawning dynamics, while being more than an order of magnitude faster. copyright 1999 American Institute of Physics

  20. Fast vibrational configuration interaction using generalized curvilinear coordinates and self-consistent basis.

    Science.gov (United States)

    Scribano, Yohann; Lauvergnat, David M; Benoit, David M

    2010-09-07

    In this paper, we couple a numerical kinetic-energy operator approach to the direct-vibrational self-consistent field (VSCF)/vibrational configuration interaction (VCI) method for the calculation of vibrational anharmonic frequencies. By combining this with fast-VSCF, an efficient direct evaluation of the ab initio potential-energy surface (PES), we introduce a general formalism for the computation of vibrational bound states of molecular systems exhibiting large-amplitude motion such as methyl-group torsion. We validate our approach on an analytical two-dimensional model and apply it to the methanol molecule. We show that curvilinear coordinates lead to a significant improvement in the VSCF/VCI description of the torsional frequency in methanol, even for a simple two-mode coupling expansion of the PES. Moreover, we demonstrate that a curvilinear formulation of the fast-VSCF/VCI scheme improves its speed by a factor of two and its accuracy by a factor of 3.

  1. Nanoscale multireference quantum chemistry: full configuration interaction on graphical processing units.

    Science.gov (United States)

    Fales, B Scott; Levine, Benjamin G

    2015-10-13

    Methods based on a full configuration interaction (FCI) expansion in an active space of orbitals are widely used for modeling chemical phenomena such as bond breaking, multiply excited states, and conical intersections in small-to-medium-sized molecules, but these phenomena occur in systems of all sizes. To scale such calculations up to the nanoscale, we have developed an implementation of FCI in which electron repulsion integral transformation and several of the more expensive steps in σ vector formation are performed on graphical processing unit (GPU) hardware. When applied to a 1.7 × 1.4 × 1.4 nm silicon nanoparticle (Si72H64) described with the polarized, all-electron 6-31G** basis set, our implementation can solve for the ground state of the 16-active-electron/16-active-orbital CASCI Hamiltonian (more than 100,000,000 configurations) in 39 min on a single NVidia K40 GPU.

  2. A full-configuration-interaction nuclear orbital approach and application for small doped He clusters

    Energy Technology Data Exchange (ETDEWEB)

    Lara-Castells, M. P. de, E-mail: delara@iff.csic.es; Aguirre, N. F., E-mail: delara@iff.csic.es; Delgado-Barrio, G., E-mail: delara@iff.csic.es; Villarreal, P., E-mail: delara@iff.csic.es [Instituto de Física Fundamental (CSIC), Serrano 123, 28006 Madrid (Spain); Mitrushchenkov, A. O. [Université Paris-Est, Laboratoire Modélisation et Simulation Multi Echelle, MSME UMR 8208 CNRS, 5 bd Descartes, 77454 Marne-la-Vallée (France)

    2015-01-22

    An efficient full-configuration-interaction 'nuclear orbital' treatment was developed as a benchmark quantum-chemistry-like method to calculate, ground and excited, fermionic 'solvent' wave-functions and applied to {sup 3}He{sub N} clusters with atomic or molecular impurities [J. Chem. Phys. (Communication) 125, 221101 (2006)]. The main difficulty in handling doped {sup 3}He{sub N} clusters lies in the Fermi-Dirac nuclear statistics, the wide amplitudes of the He-dopant and He-He motions, and the hard-core He-He interaction at short distances. This paper overviews the theoretical approach and its recent applications to energetic, structural and spectroscopic aspects of different dopant-{sup 3}He{sub N} clusters. Preliminary results by using the latest version of the FCI-NO computational implementation, to bosonic Cl{sub 2}(X)-({sup 4}He){sub N} clusters, are also shown.

  3. Multireference configuration interaction theory using cumulant reconstruction with internal contraction of density matrix renormalization group wave function.

    Science.gov (United States)

    Saitow, Masaaki; Kurashige, Yuki; Yanai, Takeshi

    2013-07-28

    We report development of the multireference configuration interaction (MRCI) method that can use active space scalable to much larger size references than has previously been possible. The recent development of the density matrix renormalization group (DMRG) method in multireference quantum chemistry offers the ability to describe static correlation in a large active space. The present MRCI method provides a critical correction to the DMRG reference by including high-level dynamic correlation through the CI treatment. When the DMRG and MRCI theories are combined (DMRG-MRCI), the full internal contraction of the reference in the MRCI ansatz, including contraction of semi-internal states, plays a central role. However, it is thought to involve formidable complexity because of the presence of the five-particle rank reduced-density matrix (RDM) in the Hamiltonian matrix elements. To address this complexity, we express the Hamiltonian matrix using commutators, which allows the five-particle rank RDM to be canceled out without any approximation. Then we introduce an approximation to the four-particle rank RDM by using a cumulant reconstruction from lower-particle rank RDMs. A computer-aided approach is employed to derive the exceedingly complex equations of the MRCI in tensor-contracted form and to implement them into an efficient parallel computer code. This approach extends to the size-consistency-corrected variants of MRCI, such as the MRCI+Q, MR-ACPF, and MR-AQCC methods. We demonstrate the capability of the DMRG-MRCI method in several benchmark applications, including the evaluation of single-triplet gap of free-base porphyrin using 24 active orbitals.

  4. Relativistic calculation of dielectronic recombination for He-like krypton

    Institute of Scientific and Technical Information of China (English)

    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.

  5. Relativistic hydrodynamics

    CERN Document Server

    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...

  6. Density matrix-based time-dependent configuration interaction approach to ultrafast spin-flip dynamics

    Science.gov (United States)

    Wang, Huihui; Bokarev, Sergey I.; Aziz, Saadullah G.; Kühn, Oliver

    2017-08-01

    Recent developments in attosecond spectroscopy yield access to the correlated motion of electrons on their intrinsic timescales. Spin-flip dynamics is usually considered in the context of valence electronic states, where spin-orbit coupling is weak and processes related to the electron spin are usually driven by nuclear motion. However, for core-excited states, where the core-hole has a nonzero angular momentum, spin-orbit coupling is strong enough to drive spin-flips on a much shorter timescale. Using density matrix-based time-dependent restricted active space configuration interaction including spin-orbit coupling, we address an unprecedentedly short spin-crossover for the example of L-edge (2p→3d) excited states of a prototypical Fe(II) complex. This process occurs on a timescale, which is faster than that of Auger decay (∼4 fs) treated here explicitly. Modest variations of carrier frequency and pulse duration can lead to substantial changes in the spin-state yield, suggesting its control by soft X-ray light.

  7. Gauge-Invariant Formulation of Time-Dependent Configuration Interaction Singles Method

    Directory of Open Access Journals (Sweden)

    Takeshi Sato

    2018-03-01

    Full Text Available We propose a gauge-invariant formulation of the channel orbital-based time-dependent configuration interaction singles (TDCIS method [Phys. Rev. A, 74, 043420 (2006], one of the powerful ab initio methods to investigate electron dynamics in atoms and molecules subject to an external laser field. In the present formulation, we derive the equations of motion (EOMs in the velocity gauge using gauge-transformed time-dependent, not fixed, orbitals that are equivalent to the conventional EOMs in the length gauge using fixed orbitals. The new velocity-gauge EOMs avoid the use of the length-gauge dipole operator, which diverges at large distance, and allows us to exploit computational advantages of the velocity-gauge treatment over the length-gauge one, e.g., a faster convergence in simulations with intense and long-wavelength lasers, and the feasibility of exterior complex scaling as an absorbing boundary. The reformulated TDCIS method is applied to an exactly solvable model of one-dimensional helium atom in an intense laser field to numerically demonstrate the gauge invariance. We also discuss the consistent method for evaluating the time derivative of an observable, which is relevant, e.g., in simulating high-harmonic generation.

  8. A deterministic alternative to the full configuration interaction quantum Monte Carlo method

    Energy Technology Data Exchange (ETDEWEB)

    Tubman, Norm M.; Lee, Joonho; Takeshita, Tyler Y.; Head-Gordon, Martin; Whaley, K. Birgitta [University of California, Berkeley, Berkeley, California 94720 (United States)

    2016-07-28

    Development of exponentially scaling methods has seen great progress in tackling larger systems than previously thought possible. One such technique, full configuration interaction quantum Monte Carlo, is a useful algorithm that allows exact diagonalization through stochastically sampling determinants. The method derives its utility from the information in the matrix elements of the Hamiltonian, along with a stochastic projected wave function, to find the important parts of Hilbert space. However, the stochastic representation of the wave function is not required to search Hilbert space efficiently, and here we describe a highly efficient deterministic method that can achieve chemical accuracy for a wide range of systems, including the difficult Cr{sub 2} molecule. We demonstrate for systems like Cr{sub 2} that such calculations can be performed in just a few cpu hours which makes it one of the most efficient and accurate methods that can attain chemical accuracy for strongly correlated systems. In addition our method also allows efficient calculation of excited state energies, which we illustrate with benchmark results for the excited states of C{sub 2}.

  9. Tensor representation techniques for full configuration interaction: A Fock space approach using the canonical product format.

    Science.gov (United States)

    Böhm, Karl-Heinz; Auer, Alexander A; Espig, Mike

    2016-06-28

    In this proof-of-principle study, we apply tensor decomposition techniques to the Full Configuration Interaction (FCI) wavefunction in order to approximate the wavefunction parameters efficiently and to reduce the overall computational effort. For this purpose, the wavefunction ansatz is formulated in an occupation number vector representation that ensures antisymmetry. If the canonical product format tensor decomposition is then applied, the Hamiltonian and the wavefunction can be cast into a multilinear product form. As a consequence, the number of wavefunction parameters does not scale to the power of the number of particles (or orbitals) but depends on the rank of the approximation and linearly on the number of particles. The degree of approximation can be controlled by a single threshold for the rank reduction procedure required in the algorithm. We demonstrate that using this approximation, the FCI Hamiltonian matrix can be stored with N(5) scaling. The error of the approximation that is introduced is below Millihartree for a threshold of ϵ = 10(-4) and no convergence problems are observed solving the FCI equations iteratively in the new format. While promising conceptually, all effort of the algorithm is shifted to the required rank reduction procedure after the contraction of the Hamiltonian with the coefficient tensor. At the current state, this crucial step is the bottleneck of our approach and even for an optimistic estimate, the algorithm scales beyond N(10) and future work has to be directed towards reduction-free algorithms.

  10. Seniority and orbital symmetry as tools for establishing a full configuration interaction hierarchy.

    Science.gov (United States)

    Bytautas, Laimutis; Henderson, Thomas M; Jiménez-Hoyos, Carlos A; Ellis, Jason K; Scuseria, Gustavo E

    2011-07-28

    We explore the concept of seniority number (defined as the number of unpaired electrons in a determinant) when applied to the problem of electron correlation in atomic and molecular systems. Although seniority is a good quantum number only for certain model Hamiltonians (such as the pairing Hamiltonian), we show that it provides a useful partitioning of the electronic full configuration interaction (FCI) wave function into rapidly convergent Hilbert subspaces whose weight diminishes as its seniority number increases. The primary focus of this study is the adequate description of static correlation effects. The examples considered are the ground states of the helium, beryllium, and neon atoms, the symmetric dissociation of the N(2) and CO(2) molecules, as well as the symmetric dissociation of an H(8) hydrogen chain. It is found that the symmetry constraints that are normally placed on the spatial orbitals greatly affect the convergence rate of the FCI expansion. The energy relevance of the seniority zero sector (determinants with all paired electrons) increases dramatically if orbitals of broken spatial symmetry (as those commonly used for Hubbard Hamiltonian studies) are allowed in the wave function construction. © 2011 American Institute of Physics

  11. Relativistic astrophysics

    CERN Document Server

    Price, R H

    1993-01-01

    Work reported in the workshop on relativistic astrophysics spanned a wide varicy of topics. Two specific areas seemed of particular interest. Much attention was focussed on gravitational wave sources, especially on the waveforms they produce, and progress was reported in theoretical and observational aspects of accretion disks.

  12. Relativistic Kinematics

    OpenAIRE

    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.

  13. Relativistic Astrophysics

    International Nuclear Information System (INIS)

    Font, J. A.

    2015-01-01

    The relativistic astrophysics is the field of astrophysics employing the theory of relativity Einstein as physical-mathematical model is to study the universe. This discipline analyzes astronomical contexts in which the laws of classical mechanics of Newton's law of gravitation are not valid. (Author)

  14. Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

    DEFF Research Database (Denmark)

    Silva-Junior, Mario R.; Schreiber, Marko; Sauer, Stephan P. A.

    2008-01-01

    Time-dependent density functional theory (TD-DFT) and DFT-based multireference configuration interaction (DFT/MRCI) calculations are reported for a recently proposed benchmark set of 28 medium-sized organic molecules. Vertical excitation energies, oscillator strengths, and excited-state dipole...

  15. A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy

    Energy Technology Data Exchange (ETDEWEB)

    Roemelt, Michael; Maganas, Dimitrios; Neese, Frank [Max-Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D-45470 Muelheim an der Ruhr (Germany); DeBeer, Serena [Max-Planck Institute for Chemical Energy Conversion, Stiftstrasse 34-36, D-45470 Muelheim an der Ruhr (Germany); Department of Chemistry and Chemical Biology, Cornell University, Ithaca, New York 14853 (United States)

    2013-05-28

    A novel restricted-open-shell configuration interaction with singles (ROCIS) approach for the calculation of transition metal L-edge X-ray absorption spectra is introduced. In this method, one first calculates the ground state and a number of excited states of the non-relativistic Hamiltonian. By construction, the total spin is a good quantum number in each of these states. For a ground state with total spin S excited states with spin S Prime = S, S - 1, and S + 1 are constructed. Using Wigner-Eckart algebra, all magnetic sublevels with M{sub S}= S, Horizontal-Ellipsis , -S for each multiplet of spin S are obtained. The spin-orbit operator is represented by a mean-field approximation to the full Breit-Pauli spin-orbit operator and is diagonalized over this N-particle basis. This is equivalent to a quasi-degenerate treatment of the spin-orbit interaction to all orders. Importantly, the excitation space spans all of the molecular multiplets that arise from the atomic Russell-Saunders terms. Hence, the method represents a rigorous first-principles approach to the complicated low-symmetry molecular multiplet problem met in L-edge X-ray absorption spectroscopy. In order to gain computational efficiency, as well as additional accuracy, the excitation space is restricted to single excitations and the configuration interaction matrix is slightly parameterized in order to account for dynamic correlation effects in an average way. To this end, it is advantageous to employ Kohn-Sham rather than Hartree-Fock orbitals thus defining the density functional theory/ROCIS method. However, the method can also be used in an entirely non-empirical fashion. Only three global empirical parameters are introduced and have been determined here for future application of the method to any system containing any transition metal. The three parameters were carefully calibrated using the L-edge X-ray absorption spectroscopy spectra of a test set of coordination complexes containing first row

  16. Relativistic klystrons

    International Nuclear Information System (INIS)

    Allen, M.A.; Azuma, O.; Callin, R.S.

    1989-03-01

    Experimental work is underway by a SLAC-LLNL-LBL collaboration to investigate the feasibility of using relativistic klystrons as a power source for future high gradient accelerators. Two different relativistic klystron configurations have been built and tested to date: a high grain multicavity klystron at 11.4 GHz and a low gain two cavity subharmonic buncher driven at 5.7 GHz. In both configurations power is extracted at 11.4 GHz. In order to understand the basic physics issues involved in extracting RF from a high power beam, we have used both a single resonant cavity and a multi-cell traveling wave structure for energy extraction. We have learned how to overcome our previously reported problem of high power RF pulse shortening, and have achieved peak RF power levels of 170 MW with the RF pulse of the same duration as the beam current pulse. 6 refs., 3 figs., 3 tabs

  17. Gravitation relativiste

    CERN Document Server

    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.

  18. Relativistic klystron

    International Nuclear Information System (INIS)

    Marks, R.

    1985-09-01

    Theoretical analysis is presented of a relativisic klystron; i.e. a high-relativistic bunched electron beam which is sent through a succession of tuned cavities and has its energy replenished by periodic induction accelerator units. Parameters are given for a full-size device and for an experimental device using the FEL at the ETA; namely the ELF Facility. 6 refs., 2 figs

  19. Parallel multireference configuration interaction calculations on mini-β-carotenes and β-carotene

    Science.gov (United States)

    Kleinschmidt, Martin; Marian, Christel M.; Waletzke, Mirko; Grimme, Stefan

    2009-01-01

    We present a parallelized version of a direct selecting multireference configuration interaction (MRCI) code [S. Grimme and M. Waletzke, J. Chem. Phys. 111, 5645 (1999)]. The program can be run either in ab initio mode or as semiempirical procedure combined with density functional theory (DFT/MRCI). We have investigated the efficiency of the parallelization in case studies on carotenoids and porphyrins. The performance is found to depend heavily on the cluster architecture. While the speed-up on the older Intel Netburst technology is close to linear for up to 12-16 processes, our results indicate that it is not favorable to use all cores of modern Intel Dual Core or Quad Core processors simultaneously for memory intensive tasks. Due to saturation of the memory bandwidth, we recommend to run less demanding tasks on the latter architectures in parallel to two (Dual Core) or four (Quad Core) MRCI processes per node. The DFT/MRCI branch has been employed to study the low-lying singlet and triplet states of mini-n-β-carotenes (n =3, 5, 7, 9) and β-carotene (n =11) at the geometries of the ground state, the first excited triplet state, and the optically bright singlet state. The order of states depends heavily on the conjugation length and the nuclear geometry. The B1u+ state constitutes the S1 state in the vertical absorption spectrum of mini-3-β-carotene but switches order with the 2 A1g- state upon excited state relaxation. In the longer carotenes, near degeneracy or even root flipping between the B1u+ and B1u- states is observed whereas the 3 A1g- state is found to remain energetically above the optically bright B1u+ state at all nuclear geometries investigated here. The DFT/MRCI method is seen to underestimate the absolute excitation energies of the longer mini-β-carotenes but the energy gaps between the excited states are reproduced well. In addition to singlet data, triplet-triplet absorption energies are presented. For β-carotene, where these transition

  20. Parallel multireference configuration interaction calculations on mini-beta-carotenes and beta-carotene.

    Science.gov (United States)

    Kleinschmidt, Martin; Marian, Christel M; Waletzke, Mirko; Grimme, Stefan

    2009-01-28

    We present a parallelized version of a direct selecting multireference configuration interaction (MRCI) code [S. Grimme and M. Waletzke, J. Chem. Phys. 111, 5645 (1999)]. The program can be run either in ab initio mode or as semiempirical procedure combined with density functional theory (DFT/MRCI). We have investigated the efficiency of the parallelization in case studies on carotenoids and porphyrins. The performance is found to depend heavily on the cluster architecture. While the speed-up on the older Intel Netburst technology is close to linear for up to 12-16 processes, our results indicate that it is not favorable to use all cores of modern Intel Dual Core or Quad Core processors simultaneously for memory intensive tasks. Due to saturation of the memory bandwidth, we recommend to run less demanding tasks on the latter architectures in parallel to two (Dual Core) or four (Quad Core) MRCI processes per node. The DFT/MRCI branch has been employed to study the low-lying singlet and triplet states of mini-n-beta-carotenes (n=3, 5, 7, 9) and beta-carotene (n=11) at the geometries of the ground state, the first excited triplet state, and the optically bright singlet state. The order of states depends heavily on the conjugation length and the nuclear geometry. The (1)B(u) (+) state constitutes the S(1) state in the vertical absorption spectrum of mini-3-beta-carotene but switches order with the 2 (1)A(g) (-) state upon excited state relaxation. In the longer carotenes, near degeneracy or even root flipping between the (1)B(u) (+) and (1)B(u) (-) states is observed whereas the 3 (1)A(g) (-) state is found to remain energetically above the optically bright (1)B(u) (+) state at all nuclear geometries investigated here. The DFT/MRCI method is seen to underestimate the absolute excitation energies of the longer mini-beta-carotenes but the energy gaps between the excited states are reproduced well. In addition to singlet data, triplet-triplet absorption energies are

  1. Comparison of fully internally and strongly contracted multireference configuration interaction procedures

    Science.gov (United States)

    Sivalingam, Kantharuban; Krupicka, Martin; Auer, Alexander A.; Neese, Frank

    2016-08-01

    Multireference (MR) methods occupy an important class of approaches in quantum chemistry. In many instances, for example, in studying complex magnetic properties of transition metal complexes, they are actually the only physically satisfactory choice. In traditional MR approaches, single and double excitations are performed with respect to all reference configurations (or configuration state functions, CSFs), which leads to an explosive increase of computational cost for larger reference spaces. This can be avoided by the internal contraction scheme proposed by Meyer and Siegbahn, which effectively reduces the number of wavefunction parameters to their single-reference counterpart. The "fully internally contracted" scheme (FIC) is well known from the popular CASPT2 approach. An even shorter expansion of the wavefunction is possible with the "strong contraction" (SC) scheme proposed by Angeli and Malrieu in their NEVPT2 approach. Promising multireference configuration interaction formulations (MRCI) employing internal contraction and strong contraction have been reported by several authors. In this work, we report on the implementation of the FIC-MRCI and SC-MRCI methodologies, using a computer assisted implementation strategy. The methods are benchmarked against the traditional uncontracted MRCI approach for ground and excited states of small molecules (N2, O2, CO, CO+, OH, CH, and CN). For ground states, the comparison includes the "partially internally contracted" MRCI based on the Celani-Werner ansatz (PC-MRCI). For the three contraction schemes, the average errors range from 2% to 6% of the uncontracted MRCI correlation energies. Excitation energies are reproduced with ˜0.2 eV accuracy. In most cases, the agreement is better than 0.2 eV, even in cases with very large differential correlation contributions as exemplified for the d-d and ligand-to-metal charge transfer transitions of a Cu [NH 3 ] 4 2 + model complex. The benchmark is supplemented with the

  2. Critical comparison between equation of motion-Green's function methods and configuration interaction methods: analysis of methods and applications

    International Nuclear Information System (INIS)

    Freed, K.F.; Herman, M.F.; Yeager, D.L.

    1980-01-01

    A description is provided of the common conceptual origins of many-body equations of motion and Green's function methods in Liouville operator formulations of the quantum mechanics of atomic and molecular electronic structure. Numerical evidence is provided to show the inadequacies of the traditional strictly perturbative approaches to these methods. Nonperturbative methods are introduced by analogy with techniques developed for handling large configuration interaction calculations and by evaluating individual matrix elements to higher accuracy. The important role of higher excitations is exhibited by the numerical calculations, and explicit comparisons are made between converged equations of motion and configuration interaction calculations for systems where a fundamental theorem requires the equality of the energy differences produced by these different approaches. (Auth.)

  3. Decomposition of the configuration-interaction coefficients in the multiconfiguration time-dependent Hartree-Fock method

    Energy Technology Data Exchange (ETDEWEB)

    Lötstedt, Erik, E-mail: lotstedt@chem.s.u-tokyo.ac.jp; Kato, Tsuyoshi; Yamanouchi, Kaoru [Department of Chemistry, School of Science, The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-0033 (Japan)

    2016-04-21

    An approximate implementation of the multiconfiguration time-dependent Hartree-Fock method is proposed, in which the matrix of configuration-interaction coefficients is decomposed into a product of matrices of smaller dimension. The applicability of this method in which all the configurations are kept in the expansion of the wave function, while the configuration-interaction coefficients are approximately calculated, is discussed by showing the results on three model systems: a one-dimensional model of a beryllium atom, a one-dimensional model of a carbon atom, and a one-dimensional model of a chain of four hydrogen atoms. The time-dependent electronic dynamics induced by a few-cycle, long-wavelength laser pulse is found to be well described at a lower computational cost compared to the standard multiconfiguration time-dependent Hartree-Fock treatment. Drawbacks of the method are also discussed.

  4. Ab initio configuration interaction study on the energetics and electronic structure of the 1-52Σ+ and 1-32Π states of CS+

    International Nuclear Information System (INIS)

    Honjou, Nobumitsu

    2006-01-01

    The energetics and electronic structure of the 1-5 2 Σ + and 1-3 2 Π states of CS + at and around the equilibrium internuclear distance R e for the CS X 1 Σ + state are studied by carrying out ab initio configuration interaction (CI) calculations. The spectroscopic constants of T e , ω e , and R e for the 1-4 2 Σ + , 1 2 Π, and 3 2 Π states are evaluated from the CI potential energy curves (PECs). The avoided crossing between the 2-3 2 Σ + PECs causes the 3 2 Σ + minimum and explains the observed high intensities for the photoionization from the CS X 1 Σ + state to both the 2-3 2 Σ + states. The avoided crossing between the 3-4 2 Σ + PECs produces the 3 2 Σ + maximum and 4 2 Σ + well minimum. The avoided crossing between the 2-3 2 Π PECs results in the 3 2 Π minimum and a small minimum spacing (0.14 eV) between the PECs

  5. High pressure studies of configuration interaction and crystal field effects in Sm2+

    International Nuclear Information System (INIS)

    Shen, Y.; Bray, K.L.

    1998-01-01

    Full text: Divalent rare earth ions are interesting luminescence centres because of the low energy of the excited 4f n-1 5d 1 configuration relative to the 4f n ground configuration. The low energy difference between these two configurations leads to two principle effects which distinguish the luminescence properties of divalent rare earth ions from those of trivalent rare earth ions. First, a significant amount of 5d state mixing into the electronic states of the 4f n configuration occurs and second, the thermal activation barrier to 4f n → 4f n-1 5d 1 crossing is greatly reduced. The first effect introduces opposite parity character into the emitting levels of divalent rare earth ions and acts to shorten lifetimes and increase f-f luminescence intensity, while the second effect acts to enhance thermal quenching of 4f n excited electronic states closest in energy to the 4f n-1 5d 1 configuration. The interaction between the 4f n and 4f n-1 5d 1 configurations and crystal field properties are typically studied by considering the luminescence properties of divalent rare earth ions in a series of host crystals. We are currently developing a new approach, based on high pressure luminescence spectroscopy, for understanding con-figuration interaction and crystal field properties of divalent rare earth ions. The strategy of our approach is to use high pressure as a tool of structural perturbation. By applying hydrostatic pressure to solids, we have an opportunity to continuously vary the nearest neighbour coordination environment of divalent rare earth dopants. Our general goal is to correlate pressure-induced changes in local structure with pressure-induced changes in luminescence properties in an attempt to better understand structure-property-composition relations in solid state luminescent materials. In this paper we present recent results on Sm 2+ in a series of MFCl (M = Sr, Ba, Ca) host lattices. Luminescence spectra and decay properties as a function of pressure up to 200 kbar will be presented. The primary effect of pressure on the electronic structure of Sm 2+ is to decrease the energy difference between the 4f n and 4f n-1 5d 1 configurations. At ambient pressure, the 4f n-1 5d 1 configuration is higher in energy than the 5 D 2 level of Sm 2+ and, depending on the temperature, it is possible to observe emission from the 5 D 2,1,0 levels to several of the 7 F J ground levels. Upon application of pressure, the 4f n-1 5d 1 configuration shifts to lower energy and successively crosses the 5 D 2 and 5 D 1 levels of Sm 2+ . This leads to a quenching of luminescence from these levels and enhancement of luminescence from the 5 D 0 level. At very high pressures, we begin to see evidence of a new fast decay component in our lifetime measurements. We believe we are approaching the 5 D 0 -4f n-1 5d 1 crossover and beginning to stabilize f-d emission. We present an analysis of our results in terms of crystal field, configuration coordinate and luminescence dynamics modelling

  6. The role of Rydberg and continuum levels in computing high harmonic generation spectra of the hydrogen atom using time-dependent configuration interaction

    International Nuclear Information System (INIS)

    Luppi, Eleonora; Head-Gordon, Martin

    2013-01-01

    We study the role of Rydberg bound-states and continuum levels in the field-induced electronic dynamics associated with the High-Harmonic Generation (HHG) spectroscopy of the hydrogen atom. Time-dependent configuration-interaction (TD-CI) is used with very large atomic orbital (AO) expansions (up to L= 4 with sextuple augmentation and off-center functions) to describe the bound Rydberg levels, and some continuum levels. To address the lack of ionization losses in TD-CI with finite AO basis sets, we employed a heuristic lifetime for energy levels above the ionization potential. The heuristic lifetime model is compared against the conventional atomic orbital treatment (infinite lifetimes), and a third approximation which is TD-CI using only the bound levels (continuum lifetimes go to zero). The results suggest that spectra calculated using conventional TD-CI do not converge with increasing AO basis set size, while the zero lifetime and heuristic lifetime models converge to qualitatively similar spectra, with implications for how best to apply bound state electronic structure methods to simulate HHG. The origin of HHG spectral features including the cutoff and extent of interference between peaks is uncovered by separating field-induced coupling between different types of levels (ground state, bound Rydberg levels, and continuum) in the simulated electronic dynamics. Thus the origin of deviations between the predictions of the semi-classical three step model and the full simulation can be associated with particular physical contributions, which helps to explain both the successes and the limitations of the three step model

  7. Theoretical studies on CH+ ion molecule using configuration interaction method and its spectroscopic properties

    International Nuclear Information System (INIS)

    Machado, F.B.C.

    1985-01-01

    The use of the configuration (CI) method for the calculation of very accurate potential energy curves and dipole moment functions, and then their use in the comprehension of spectroscopic properties of diatomic molecules is presented. The spectroscopic properties of CH + and CD + such as: vibrational levels, spectroscopic constants, averaged dipole moments for all vibrational levels, radiative transition probabilities for emission and absorption, and radiative lifetimes are verificated. (M.J.C.) [pt

  8. Relativistic Astronomy

    Science.gov (United States)

    Zhang, Bing; Li, Kunyang

    2018-02-01

    The “Breakthrough Starshot” aims at sending near-speed-of-light cameras to nearby stellar systems in the future. Due to the relativistic effects, a transrelativistic camera naturally serves as a spectrograph, a lens, and a wide-field camera. We demonstrate this through a simulation of the optical-band image of the nearby galaxy M51 in the rest frame of the transrelativistic camera. We suggest that observing celestial objects using a transrelativistic camera may allow one to study the astronomical objects in a special way, and to perform unique tests on the principles of special relativity. We outline several examples that suggest transrelativistic cameras may make important contributions to astrophysics and suggest that the Breakthrough Starshot cameras may be launched in any direction to serve as a unique astronomical observatory.

  9. Relativistic magnetohydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Hernandez, Juan; Kovtun, Pavel [Department of Physics and Astronomy, University of Victoria,Victoria, BC, V8P 5C2 (Canada)

    2017-05-02

    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).

  10. Ciência global?

    OpenAIRE

    Abreu, Armando Trigo de

    2000-01-01

    No fim do séc. XX, poucas actividades podem reclamar um passado de universalidade tão longo e tão paradigmático como a ciência. Se eliminarmos ocasionais e limitados acessos de nacionalismo ou ideologismo mais destemperado que levaram à procura da ciência proletária ou da filosofia portuguesa, a história da ciência é uma história comum. Portugal está excepcionalmente bem situado para compreender esta característica da ciência universal. Três exemplos, apenas, podem ilustrar esta condição:...

  11. Optical spectroscopy and system–bath interactions in molecular aggregates with full configuration interaction Frenkel exciton model

    Energy Technology Data Exchange (ETDEWEB)

    Seibt, Joachim; Sláma, Vladislav; Mančal, Tomáš, E-mail: mancal@karlov.mff.cuni.cz

    2016-12-20

    Highlights: • Standard Frenkel exciton model is extended to include inter-band coupling. • It is formally linked with configuration interaction method of quantum chemistry. • Spectral shifts due to inter-band coupling are found in molecular aggregates. • Effects of peak amplitude redistribution in two-dimensional spectra are found. - Abstract: Standard application of the Frenkel exciton model neglects resonance coupling between collective molecular aggregate states with different number of excitations. These inter-band coupling terms are, however, of the same magnitude as the intra-band coupling between singly excited states. We systematically derive the Frenkel exciton model from quantum chemical considerations, and identify it as a variant of the configuration interaction method. We discuss all non-negligible couplings between collective aggregate states, and provide compact formulae for their calculation. We calculate absorption spectra of molecular aggregate of carotenoids and identify significant band shifts as a result of inter-band coupling. The presence of inter-band coupling terms requires renormalization of the system–bath coupling with respect to standard formulation, but renormalization effects are found to be weak. We present detailed discussion of molecular dimer and calculate its time-resolved two-dimensional Fourier transformed spectra to find weak but noticeable effects of peak amplitude redistribution due to inter-band coupling.

  12. Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields.

    Science.gov (United States)

    Klinkusch, Stefan; Tremblay, Jean Christophe

    2016-05-14

    In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

  13. Resolution-of-identity stochastic time-dependent configuration interaction for dissipative electron dynamics in strong fields

    Energy Technology Data Exchange (ETDEWEB)

    Klinkusch, Stefan; Tremblay, Jean Christophe [Institute for Chemistry and Biochemistry, Freie Universität Berlin, Takustr. 3, D-14195 Berlin (Germany)

    2016-05-14

    In this contribution, we introduce a method for simulating dissipative, ultrafast many-electron dynamics in intense laser fields. The method is based on the norm-conserving stochastic unraveling of the dissipative Liouville-von Neumann equation in its Lindblad form. The N-electron wave functions sampling the density matrix are represented in the basis of singly excited configuration state functions. The interaction with an external laser field is treated variationally and the response of the electronic density is included to all orders in this basis. The coupling to an external environment is included via relaxation operators inducing transition between the configuration state functions. Single electron ionization is represented by irreversible transition operators from the ionizing states to an auxiliary continuum state. The method finds its efficiency in the representation of the operators in the interaction picture, where the resolution-of-identity is used to reduce the size of the Hamiltonian eigenstate basis. The zeroth-order eigenstates can be obtained either at the configuration interaction singles level or from a time-dependent density functional theory reference calculation. The latter offers an alternative to explicitly time-dependent density functional theory which has the advantage of remaining strictly valid for strong field excitations while improving the description of the correlation as compared to configuration interaction singles. The method is tested on a well-characterized toy system, the excitation of the low-lying charge transfer state in LiCN.

  14. Collision strengths from ground levels of Ti XIII using relativistic-Breit-Pauli approximation

    International Nuclear Information System (INIS)

    Mohan, M.; Hibbert, H.; Burke, P.G.; Keenan, F.

    1998-09-01

    The R-matrix method is used to calculate collision strengths from ground state to the first twenty-six fine structure levels of neon-like titanium by including the relativistic term coupling coefficients in the semi-Breit-Pauli approximation. Configuration interaction wave-functions are used to represent the first fifteen lowest LS-coupled target states in the R-matrix expansion. Results obtained are compared with other calculations. This is the first detailed calculation on this ion in which relativistic, exchange, channel couplings and short-range correlation effects are taken into account. (author)

  15. Relativistic effects on magnetic circular dichroism studied by GUHF/SECI method

    Science.gov (United States)

    Honda, Y.; Hada, M.; Ehara, M.; Nakatsuji, H.; Downing, J.; Michl, J.

    2002-04-01

    Quasi-relativistic formulation of the Magnetic circular dichroism (MCD) Faraday terms are presented using the generalized unrestricted Hartree-Fock (GUHF)/single excitation configuration interaction (SECI) method combined with the finite perturbation method and applied to the MCD of the three n-σ ∗ states ( 3Q1, 3Q0, 1Q1) of CH 3I. The Faraday B term for the 1Q1 state was 0.1976( Debye) 2( Bohr magneton )/(10 3 cm-1) in the non-relativistic theory, but was dramatically improved by the relativistic effect and became 0.0184 in agreement with the experimental values, 0.014 and 0.0257. This change was mainly due to the one-electron spin-orbit (SO1) term rather than the spin-free relativistic (SFR) and the two-electron spin-orbit (SO2) terms.

  16. (Human) Resourcing For CI

    DEFF Research Database (Denmark)

    Jørgensen, Frances; S., Jacob; Kofoed, Lise Busk

    2005-01-01

    the change processes in which we are engaged?” Without a clear picture of the types of competencies required to implement CI, it is impossible for companies to make informed decisions regarding recruitment, hiring, and training of their workforce. The objective of this paper is therefore to define...... and characterize the types of competencies necessary for persons involved change implementation. Data collection involved interviews and observations in three longitudinal studies in five companies based in Denmark. From these data, a list of competencies that appeared to facilitate CI implementation was compiled...... challenging in organizations involved in change processes such as Continuous Improvement (CI), as the technical skills traditionally valued are no longer adequate. These companies are faced with the question: “What competencies should our employees possess in order to contribute to our success, given...

  17. The relativistic virial theorem

    International Nuclear Information System (INIS)

    Lucha, W.; Schoeberl, F.F.

    1989-11-01

    The relativistic generalization of the quantum-mechanical virial theorem is derived and used to clarify the connection between the nonrelativistic and (semi-)relativistic treatment of bound states. 12 refs. (Authors)

  18. Calculation of relativistic and isotope shifts in Mg I

    International Nuclear Information System (INIS)

    Berengut, J.C.; Flambaum, V.V.; Kozlov, M.G.

    2005-01-01

    We present an ab initio method of calculation of the isotope and relativistic shifts in atoms with a few valence electrons. It is based on an energy calculation involving the combination of the configuration-interaction method and many-body perturbation theory. This work is motivated by analyses of quasar absorption spectra that suggest that the fine-structure constant α was smaller at an early epoch. Relativistic shifts are needed to measure this variation of α, while isotope shifts are needed to resolve systematic effects in this study. The isotope shifts can also be used to measure isotopic abundances in gas clouds in the early universe, which are needed to study nuclear reactions in stars and supernovae and test models of chemical evolution. This paper shows that the isotope shift in magnesium can be calculated to very high precision using our method

  19. Two-electron states of a group-V donor in silicon from atomistic full configuration interactions

    Science.gov (United States)

    Tankasala, Archana; Salfi, Joseph; Bocquel, Juanita; Voisin, Benoit; Usman, Muhammad; Klimeck, Gerhard; Simmons, Michelle Y.; Hollenberg, Lloyd C. L.; Rogge, Sven; Rahman, Rajib

    2018-05-01

    Two-electron states bound to donors in silicon are important for both two-qubit gates and spin readout. We present a full configuration interaction technique in the atomistic tight-binding basis to capture multielectron exchange and correlation effects taking into account the full band structure of silicon and the atomic-scale granularity of a nanoscale device. Excited s -like states of A1 symmetry are found to strongly influence the charging energy of a negative donor center. We apply the technique on subsurface dopants subjected to gate electric fields and show that bound triplet states appear in the spectrum as a result of decreased charging energy. The exchange energy, obtained for the two-electron states in various confinement regimes, may enable engineering electrical control of spins in donor-dot hybrid qubits.

  20. Laser-induced electron dynamics including photoionization: A heuristic model within time-dependent configuration interaction theory.

    Science.gov (United States)

    Klinkusch, Stefan; Saalfrank, Peter; Klamroth, Tillmann

    2009-09-21

    We report simulations of laser-pulse driven many-electron dynamics by means of a simple, heuristic extension of the time-dependent configuration interaction singles (TD-CIS) approach. The extension allows for the treatment of ionizing states as nonstationary states with a finite, energy-dependent lifetime to account for above-threshold ionization losses in laser-driven many-electron dynamics. The extended TD-CIS method is applied to the following specific examples: (i) state-to-state transitions in the LiCN molecule which correspond to intramolecular charge transfer, (ii) creation of electronic wave packets in LiCN including wave packet analysis by pump-probe spectroscopy, and, finally, (iii) the effect of ionization on the dynamic polarizability of H(2) when calculated nonperturbatively by TD-CIS.

  1. New Advancements in the Study of the Uniform Electron Gas with Full Configuration Interaction Quantum Monte Carlo

    Science.gov (United States)

    Ruggeri, Michele; Luo, Hongjun; Alavi, Ali

    Full Configuration Interaction Quantum Monte Carlo (FCIQMC) is able to give remarkably accurate results in the study of atoms and molecules. The study of the uniform electron gas (UEG) on the other hand has proven to be much harder, particularly in the low density regime. The source of this difficulty comes from the strong interparticle correlations that arise at low density, and essentially forbid the study of the electron gas in proximity of Wigner crystallization. We extend a previous study on the three dimensional electron gas computing the energy of a fully polarized gas for N=27 electrons at high and medium density (rS = 0 . 5 to 5 . 0). We show that even when dealing with a polarized UEG the computational cost of the study of systems with rS > 5 . 0 is prohibitive; in order to deal with correlations and to extend the density range that to be studied we introduce a basis of localized states and an effective transcorrelated Hamiltonian.

  2. Analytic derivative couplings for spin-flip configuration interaction singles and spin-flip time-dependent density functional theory

    International Nuclear Information System (INIS)

    Zhang, Xing; Herbert, John M.

    2014-01-01

    We revisit the calculation of analytic derivative couplings for configuration interaction singles (CIS), and derive and implement these couplings for its spin-flip variant for the first time. Our algorithm is closely related to the CIS analytic energy gradient algorithm and should be straightforward to implement in any quantum chemistry code that has CIS analytic energy gradients. The additional cost of evaluating the derivative couplings is small in comparison to the cost of evaluating the gradients for the two electronic states in question. Incorporation of an exchange-correlation term provides an ad hoc extension of this formalism to time-dependent density functional theory within the Tamm-Dancoff approximation, without the need to invoke quadratic response theory or evaluate third derivatives of the exchange-correlation functional. Application to several different conical intersections in ethylene demonstrates that minimum-energy crossing points along conical seams can be located at substantially reduced cost when analytic derivative couplings are employed, as compared to use of a branching-plane updating algorithm that does not require these couplings. Application to H 3 near its D 3h geometry demonstrates that correct topology is obtained in the vicinity of a conical intersection involving a degenerate ground state

  3. Spin-flip configuration interaction singles with exact spin-projection: Theory and applications to strongly correlated systems.

    Science.gov (United States)

    Tsuchimochi, Takashi

    2015-10-14

    Spin-flip approaches capture static correlation with the same computational scaling as the ordinary single reference methods. Here, we extend spin-flip configuration interaction singles (SFCIS) by projecting out intrinsic spin-contamination to make it spin-complete, rather than by explicitly complementing it with spin-coupled configurations. We give a general formalism of spin-projection for SFCIS, applicable to any spin states. The proposed method is viewed as a natural unification of SFCIS and spin-projected CIS to achieve a better qualitative accuracy at a low computational cost. While our wave function ansatz is more compact than previously proposed spin-complete SF approaches, it successfully offers more general static correlation beyond biradicals without sacrificing good quantum numbers. It is also shown that our method is invariant with respect to open-shell orbital rotations, due to the uniqueness of spin-projection. We will report benchmark calculations to demonstrate its qualitative performance on strongly correlated systems, including conical intersections that appear both in ground-excited and excited-excited degeneracies.

  4. Relativistic Linear Restoring Force

    Science.gov (United States)

    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…

  5. Relativistic quantum logic

    International Nuclear Information System (INIS)

    Mittelstaedt, P.

    1983-01-01

    on the basis of the well-known quantum logic and quantum probability a formal language of relativistic quantum physics is developed. This language incorporates quantum logical as well as relativistic restrictions. It is shown that relativity imposes serious restrictions on the validity regions of propositions in space-time. By an additional postulate this relativistic quantum logic can be made consistent. The results of this paper are derived exclusively within the formal quantum language; they are, however, in accordance with well-known facts of relativistic quantum physics in Hilbert space. (author)

  6. Electronic spectra of azaindole and its excited state mixing: A symmetry-adapted cluster configuration interaction study

    Energy Technology Data Exchange (ETDEWEB)

    Arulmozhiraja, Sundaram, E-mail: raja@cat.hokudai.ac.jp; Coote, Michelle L. [ARC Centre of Excellence for Electromaterials Science, Research School of Chemistry, The Australian National University, Canberra, 2601 ACT (Australia); Hasegawa, Jun-ya [Institute for Catalysis, Hokkaido University, Kita 21, Nishi 10, Kita-Ku, Sapporo 001-0021 (Japan)

    2015-11-28

    Electronic structures of azaindole were studied using symmetry-adapted cluster configuration interaction theory utilizing Dunning’s cc-pVTZ basis set augmented with appropriate Rydberg spd functions on carbon and nitrogen atoms. The results obtained in the present study show good agreement with the available experimental values. Importantly, and contrary to previous theoretical studies, the excitation energy calculated for the important n–π{sup ∗} state agrees well with the experimental value. A recent study by Pratt and co-workers concluded that significant mixing of π-π{sup ∗} and n-π{sup ∗} states leads to major change in the magnitude and direction of the dipole moment of the upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition when compared to that of the zero-point level of the S{sub 1} state. The present study, however, shows that all the four lowest lying excited states, {sup 1}L{sub b} π-π{sup ∗}, {sup 1}L{sub a} π-π{sup ∗}, n-π{sup ∗}, and π-σ{sup ∗}, cross each other in one way or another, and hence, significant state mixing between them is likely. The upper state vibrational level in the 0,0 + 280 cm{sup −1} band in the S{sub 1}←S{sub 0} transition benefits from this four-state mixing and this can explain the change in magnitude and direction of the dipole moment of the S{sub 1} excited vibrational level. This multistate mixing, and especially the involvement of π-σ{sup ∗} state in mixing, could also provide a route for hydrogen atom detachment reactions. The electronic spectra of benzimidazole, a closely related system, were also investigated in the present study.

  7. Interpretation of the photoelectron, ultraviolet, and vacuum ultraviolet photoabsorption spectra of bromobenzene by ab initio configuration interaction and DFT computations

    Energy Technology Data Exchange (ETDEWEB)

    Palmer, Michael H., E-mail: m.h.palmer@ed.ac.uk; Ridley, Trevor, E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu [School of Chemistry, University of Edinburgh, Joseph Black Building, David Brewster Road, Edinburgh EH9 3FJ, Scotland (United Kingdom); Hoffmann, Søren Vrønning, E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu; Jones, Nykola C., E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu [ISA, Department of Physics and Astronomy, Aarhus University, Ny Munkegade 120, DK-8000 Aarhus C (Denmark); Coreno, Marcello, E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu [CNR-IMIP, Montelibretti, c/o Laboratorio Elettra, Trieste (Italy); Simone, Monica de, E-mail: t.ridley@ed.ac.uk, E-mail: vronning@phys.au.dk, E-mail: nykj@phys.au.dk, E-mail: marcello.coreno@elettra.eu, E-mail: desimone@iom.cnr.it, E-mail: malgorzata.biczysko@sns.it, E-mail: kipeters@wsu.edu [CNR-IOM Laboratorio TASC, Trieste (Italy); Grazioli, Cesare [CNR-IOM Laboratorio TASC, Trieste (Italy); Department of Chemical and Pharmaceutical Sciences, University of Trieste, Trieste (Italy); Zhang, Teng [Department of Physics and Astronomy, University of Uppsala, Uppsala (Sweden); and others

    2015-10-28

    New photoelectron, ultraviolet (UV), and vacuum UV (VUV) spectra have been obtained for bromobenzene by synchrotron study with higher sensitivity and resolution than previous work. This, together with use of ab initio calculations with both configuration interaction and time dependent density functional theoretical methods, has led to major advances in interpretation. The VUV spectrum has led to identification of a considerable number of Rydberg states for the first time. The Franck-Condon (FC) analyses including both hot and cold bands lead to identification of the vibrational structure of both ionic and electronically excited states including two Rydberg states. The UV onset has been interpreted in some detail, and an interpretation based on the superposition of FC and Herzberg-Teller contributions has been performed. In a similar way, the 6 eV absorption band which is poorly resolved is analysed in terms of the presence of two ππ* states of {sup 1}A{sub 1} (higher oscillator strength) and {sup 1}B{sub 2} (lower oscillator strength) symmetries, respectively. The detailed analysis of the vibrational structure of the 2{sup 2}B{sub 1} ionic state is particularly challenging, and the best interpretation is based on equation-of-motion-coupled cluster with singles and doubles computations. A number of equilibrium structures of the ionic and singlet excited states show that the molecular structure is less subject to variation than corresponding studies for iodobenzene. The equilibrium structures of the 3b{sub 1}3s and 6b{sub 2}3s (valence shell numbering) Rydberg states have been obtained and compared with the corresponding ionic limit structures.

  8. Relativistic quantum mechanics; Mecanique quantique relativiste

    Energy Technology Data Exchange (ETDEWEB)

    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.

  9. Towards relativistic quantum geometry

    Energy Technology Data Exchange (ETDEWEB)

    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.

  10. Relativistic Coulomb Fission

    Science.gov (United States)

    Norbury, John W.

    1992-01-01

    Nuclear fission reactions induced by the electromagnetic field of relativistic nuclei are studied for energies relevant to present and future relativistic heavy ion accelerators. Cross sections are calculated for U-238 and Pu-239 fission induced by C-12, Si-28, Au-197, and U-238 projectiles. It is found that some of the cross sections can exceed 10 b.

  11. Relativistic Shock Acceleration

    International Nuclear Information System (INIS)

    Duffy, P.; Downes, T.P.; Gallant, Y.A.; Kirk, J.G.

    1999-01-01

    In this paper we briefly review the basic theory of shock waves in relativistic hydrodynamics and magneto-hydrodynamics, emphasising some astrophysically interesting cases. We then present an overview of the theory of particle acceleration at such shocks describing the methods used to calculate the spectral indices of energetic particles. Recent results on acceleration at ultra-relativistic shocks are discussed. (author)

  12. Avoided crossings, conical intersections, and low-lying excited states with a single reference method: the restricted active space spin-flip configuration interaction approach.

    Science.gov (United States)

    Casanova, David

    2012-08-28

    The restricted active space spin-flip CI (RASCI-SF) performance is tested in the electronic structure computation of the ground and the lowest electronically excited states in the presence of near-degeneracies. The feasibility of the method is demonstrated by analyzing the avoided crossing between the ionic and neutral singlet states of LiF along the molecular dissociation. The two potential energy surfaces (PESs) are explored by means of the energies of computed adiabatic and approximated diabatic states, dipole moments, and natural orbital electronic occupancies of both states. The RASCI-SF methodology is also used to study the ground and first excited singlet surface crossing involved in the double bond isomerization of ethylene, as a model case. The two-dimensional PESs of the ground (S(0)) and excited (S(1)) states are calculated for the complete configuration space of torsion and pyramidalization molecular distortions. The parameters that define the state energetics in the vicinity of the S(0)/S(1) conical intersection region are compared to complete active space self-consistent field (CASSCF) results. These examples show that it is possible to describe strongly correlated electronic states using a single reference methodology without the need to expand the wavefunction to high levels of collective excitations. Finally, RASCI is also examined in the electronic structure characterization of the ground and 2(1)A(g)(-), 1(1)B(u)(+), 1(1)B(u)(-), and 1(3)B(u)(-) states of all-trans polyenes with two to seven double bonds and beyond. Transition energies are compared to configuration interaction singles, time-dependent density functional theory (TDDFT), CASSCF, and its second-order perturbation correction calculations, and to experimental data. The capability of RASCI-SF to describe the nature and properties of each electronic state is discussed in detail. This example is also used to expose the properties of different truncations of the RASCI wavefunction and to

  13. Semiempirical UNO-CAS and UNO-CI: method and applications in nanoelectronics.

    Science.gov (United States)

    Dral, Pavlo O; Clark, Timothy

    2011-10-20

    Unrestricted Natural Orbital-Complete Active Space Configuration Interaction, abbreviated as UNO-CAS, has been implemented for NDDO-based semiempirical molecular-orbital (MO) theory. A computationally more economic technique, UNO-CIS, in which we use a configuration interaction (CI) calculation with only single excitations (CIS) to calculate excited states, has also been implemented and tested. The class of techniques in which unrestricted natural orbitals (UNOs) are used as the reference for CI calculations is denoted UNO-CI. Semiempirical UNO-CI gives good results for the optical band gaps of organic semiconductors such as polyynes and polyacenes, which are promising materials for nanoelectronics. The results of these semiempirical UNO-CI techniques are generally in better agreement with experiment than those obtained with the corresponding conventional semiempirical CI methods and comparable to or better than those obtained with far more computationally expensive methods such as time-dependent density-functional theory. We also show that symmetry breaking in semiempirical UHF calculations is very useful for predicting the diradical character of organic compounds in the singlet spin state.

  14. Relativistic Kinetic Theory

    Science.gov (United States)

    Vereshchagin, Gregory V.; Aksenov, Alexey G.

    2017-02-01

    Preface; Acknowledgements; Acronyms and definitions; Introduction; Part I. Theoretical Foundations: 1. Basic concepts; 2. Kinetic equation; 3. Averaging; 4. Conservation laws and equilibrium; 5. Relativistic BBGKY hierarchy; 6. Basic parameters in gases and plasmas; Part II. Numerical Methods: 7. The basics of computational physics; 8. Direct integration of Boltzmann equations; 9. Multidimensional hydrodynamics; Part III. Applications: 10. Wave dispersion in relativistic plasma; 11. Thermalization in relativistic plasma; 12. Kinetics of particles in strong fields; 13. Compton scattering in astrophysics and cosmology; 14. Self-gravitating systems; 15. Neutrinos, gravitational collapse and supernovae; Appendices; Bibliography; Index.

  15. Electronic states and nature of bonding of the molecule PdGe by all electron ab initio HF–CI calculations and mass spectrometric equilibrium experiments

    DEFF Research Database (Denmark)

    Shim, Irene; Kingcade, Joseph E. , Jr.; Gingerich, Karl A.

    1986-01-01

    In the present work we present all-electron ab initio Hartree–Fock (HF) and configuration interaction (CI) calculations of six electronic states of the PdGe molecule. The molecule is predicted to have a 3Pi ground state and two low-lying excited states 3Sigma− and 1Sigma+. The electronic structure...

  16. Plasma relativistic microwave electronics

    International Nuclear Information System (INIS)

    Kuzelev, M.V.; Loza, O.T.; Rukhadze, A.A.; Strelkov, P.S.; Shkvarunets, A.G.

    2001-01-01

    One formulated the principles of plasma relativistic microwave electronics based on the induced Cherenkov radiation of electromagnetic waves at interaction of a relativistic electron beam with plasma. One developed the theory of plasma relativistic generators and accelerators of microwave radiation, designed and studied the prototypes of such devices. One studied theoretically the mechanisms of radiation, calculated the efficiencies and the frequency spectra of plasma relativistic microwave generators and accelerators. The theory findings are proved by the experiment: intensity of the designed sources of microwave radiation is equal to 500 μW, the frequency of microwave radiation is increased by 7 times (from 4 up to 28 GHz), the width of radiation frequency band may vary from several up to 100%. The designed sources of microwave radiation are no else compared in the electronics [ru

  17. Positron-attachment to small molecules: Vibrational enhancement of positron affinities with configuration interaction level of multi-component molecular orbital approach

    Energy Technology Data Exchange (ETDEWEB)

    Tachikawa, Masanori [Quantum Chemistry Division, Graduate School of NanoBioScience, Yokohama City University, 22-2 Seto, Kanazawa, Yokohama 236-0027 (Japan)

    2015-12-31

    To theoretically demonstrate the binding of a positron to small polarized molecules, we have calculated the vibrational averaged positron affinity (PA) values along the local vibrational contribution with the configuration interaction level of multi-component molecular orbital method. This method can take the electron-positron correlation contribution into account through single electronic - single positronic excitation configurations. The PA values are enhanced by including the local vibrational contribution from vertical PA values due to the anharmonicity of the potential.

  18. The relativistic rocket

    Energy Technology Data Exchange (ETDEWEB)

    Antippa, Adel F [Departement de Physique, Universite du Quebec a Trois-Rivieres, Trois-Rivieres, Quebec G9A 5H7 (Canada)

    2009-05-15

    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 method that can be applied to a wide range of special relativistic problems of linear acceleration.

  19. Exact Relativistic `Antigravity' Propulsion

    Science.gov (United States)

    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.

  20. Relativistic Quantum Revivals

    International Nuclear Information System (INIS)

    Strange, P.

    2010-01-01

    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.

  1. Relativistic transition rates for sextet levels in Cr II

    International Nuclear Information System (INIS)

    Aashamar, K.; Luke, T.M.

    1994-01-01

    Configuration interaction calculations have been carried out to obtain rates for electric dipole transitions and lifetimes for the 1s 2 2s 2 2p 6 3s 2 3p 6 3d 4 4d and 5s 6 D and 4d 6 F levels in Cr II. Up to 40 configurations have been included so correlation effects should be well accounted for. Relativistic interactions are included through the use of the Breit-Pauli hamiltonian to obtain the level wave functions and energies. Strong mixing of the 4d levels occurs and this leads to substantial departures from earlier nonrelativistic calculations that assume LS coupling for these states. Results include the actual compositions of both even and odd parity levels where significant mixing occurs and the rates for all transitions that are allowed to lower levels from these 4d and 5s levels. (orig.)

  2. Relativistic viscoelastic fluid mechanics

    International Nuclear Information System (INIS)

    Fukuma, Masafumi; Sakatani, Yuho

    2011-01-01

    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.

  3. Relativistic viscoelastic fluid mechanics.

    Science.gov (United States)

    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.

  4. Dissipative relativistic hydrodynamics

    International Nuclear Information System (INIS)

    Imshennik, V.S.; Morozov, Yu.I.

    1989-01-01

    Using the comoving reference frame in the general non-inertial case, the relativistic hydrodynamics equations are derived with an account for dissipative effects in the matter. From the entropy production equation, the exact from for the dissipative tensor components is obtained. As a result, the closed system of equations of dissipative relativistic hydrodynamics is obtained in the comoving reference frame as a relativistic generalization of the known Navier-Stokes equations for Lagrange coordinates. Equations of relativistic hydrodynamics with account for dissipative effects in the matter are derived using the assocoated reference system in general non-inertial case. True form of the dissipative tensor components is obtained from entropy production equation. Closed system of equations for dissipative relativistic hydrodynamics is obtained as a result in the assocoated reference system (ARS) - relativistic generalization of well-known Navier-Stokes equations for Lagrange coordinates. Equation system, obtained in this paper for ARS, may be effectively used in numerical models of explosive processes with 10 51 erg energy releases which are characteristic for flashes of supernovae, if white dwarf type compact target suggested as presupernova

  5. New Theoretical Developments in Exploring Electronically Excited States: Including Localized Configuration Interaction Singles and Application to Large Helium Clusters

    Science.gov (United States)

    Closser, Kristina Danielle

    This thesis presents new developments in excited state electronic structure theory. Contrasted with the ground state, the electronically excited states of atoms and molecules often are unstable and have short lifetimes, exhibit a greater diversity of character and are generally less well understood. The very unusual excited states of helium clusters motivated much of this work. These clusters consist of large numbers of atoms (experimentally 103--109 atoms) and bands of nearly degenerate excited states. For an isolated atom the lowest energy excitation energies are from 1s → 2s and 1s → 2 p transitions, and in clusters describing the lowest energy band minimally requires four states per atom. In the ground state the clusters are weakly bound by van der Waals interactions, however in the excited state they can form well-defined covalent bonds. The computational cost of quantum chemical calculations rapidly becomes prohibitive as the size of the systems increase. Standard excited-state methods such as configuration interaction singles (CIS) and time-dependent density functional theory (TD-DFT) can be used with ≈100 atoms, and are optimized to treat only a few states. Thus, one of our primary aims is to develop a method which can treat these large systems with large numbers of nearly degenerate excited states. Additionally, excited states are generally formed far from their equilibrium structures. Vertical excitations from the ground state induce dynamics in the excited states. Thus, another focus of this work is to explore the results of these forces and the fate of the excited states. Very little was known about helium cluster excited states when this work began, thus we first investigated the excitations in small helium clusters consisting of 7 or 25 atoms using CIS. The character of these excited states was determined using attachment/detachment density analysis and we found that in the n = 2 manifold the excitations could generally be interpreted as

  6. Communication: CDFT-CI couplings can be unreliable when there is fractional charge transfer

    International Nuclear Information System (INIS)

    Mavros, Michael G.; Van Voorhis, Troy

    2015-01-01

    Constrained density functional theory with configuration interaction (CDFT-CI) is a useful, low-cost tool for the computational prediction of electronic couplings between pseudo-diabatic constrained electronic states. Such couplings are of paramount importance in electron transfer theory and transition state theory, among other areas of chemistry. Unfortunately, CDFT-CI occasionally fails significantly, predicting a coupling that does not decay exponentially with distance and/or overestimating the expected coupling by an order of magnitude or more. In this communication, we show that the eigenvalues of the difference density matrix between the two constrained states can be used as an a priori metric to determine when CDFT-CI are likely to be reliable: when the eigenvalues are near 0 or ±1, transfer of a whole electron is occurring, and CDFT-CI can be trusted. We demonstrate the utility of this metric with several illustrative examples

  7. Communication: CDFT-CI couplings can be unreliable when there is fractional charge transfer

    Energy Technology Data Exchange (ETDEWEB)

    Mavros, Michael G.; Van Voorhis, Troy, E-mail: tvan@mit.edu [Department of Chemistry, Massachusetts Institute of Technology, 77 Massachusetts Ave., Cambridge, Massachusetts 02139 (United States)

    2015-12-21

    Constrained density functional theory with configuration interaction (CDFT-CI) is a useful, low-cost tool for the computational prediction of electronic couplings between pseudo-diabatic constrained electronic states. Such couplings are of paramount importance in electron transfer theory and transition state theory, among other areas of chemistry. Unfortunately, CDFT-CI occasionally fails significantly, predicting a coupling that does not decay exponentially with distance and/or overestimating the expected coupling by an order of magnitude or more. In this communication, we show that the eigenvalues of the difference density matrix between the two constrained states can be used as an a priori metric to determine when CDFT-CI are likely to be reliable: when the eigenvalues are near 0 or ±1, transfer of a whole electron is occurring, and CDFT-CI can be trusted. We demonstrate the utility of this metric with several illustrative examples.

  8. Communication: CDFT-CI couplings can be unreliable when there is fractional charge transfer

    Science.gov (United States)

    Mavros, Michael G.; Van Voorhis, Troy

    2015-12-01

    Constrained density functional theory with configuration interaction (CDFT-CI) is a useful, low-cost tool for the computational prediction of electronic couplings between pseudo-diabatic constrained electronic states. Such couplings are of paramount importance in electron transfer theory and transition state theory, among other areas of chemistry. Unfortunately, CDFT-CI occasionally fails significantly, predicting a coupling that does not decay exponentially with distance and/or overestimating the expected coupling by an order of magnitude or more. In this communication, we show that the eigenvalues of the difference density matrix between the two constrained states can be used as an a priori metric to determine when CDFT-CI are likely to be reliable: when the eigenvalues are near 0 or ±1, transfer of a whole electron is occurring, and CDFT-CI can be trusted. We demonstrate the utility of this metric with several illustrative examples.

  9. Relativistic and non-relativistic studies of nuclear matter

    NARCIS (Netherlands)

    Banerjee, MK; Tjon, JA

    2002-01-01

    We point out that the differences between the results of the non-relativistic lowest order Brueckner theory (LOBT) and the relativistic Dirac-Brueckner analysis predominantly arise from two sources. Besides effects from a nucleon mass modification M* in nuclear medium we have in a relativistic

  10. Relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Ollitrault, J.Y.

    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.)

  11. Relativistic solitons and pulsars

    Energy Technology Data Exchange (ETDEWEB)

    Karpman, V I [Inst. of Terrestrial Magnetism, Ionosphere, and Radio-Wave Propagation, Moscow; Norman, C A; ter Haar, D; Tsytovich, V N

    1975-05-01

    A production mechanism for stable electron bunches or sheets of localized electric fields is investigated which may account for pulsar radio emission. Possible soliton phenomena in a one-dimensional relativistic plasma are analyzed, and it is suggested that the motion of a relativistic soliton, or ''relaton'', along a curved magnetic-field line may produce radio emission with the correct polarization properties. A general MHD solution is obtained for relatons, the radiation produced by a relativistic particle colliding with a soliton is evaluated, and the emission by a soliton moving along a curved field line is estimated. It is noted that due to a number of severe physical restrictions, curvature radiation is not a very likely solution to the problem of pulsar radio emission. (IAA)

  12. Relativistic quantum mechanics

    CERN Document Server

    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...

  13. Relativistic theories of materials

    CERN Document Server

    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...

  14. Handbook of relativistic quantum chemistry

    International Nuclear Information System (INIS)

    Liu, Wenjian

    2017-01-01

    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.

  15. Handbook of relativistic quantum chemistry

    Energy Technology Data Exchange (ETDEWEB)

    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.

  16. Biquaternions and relativistic kinematics

    International Nuclear Information System (INIS)

    Bogush, A.A.; Kurochkin, Yu.A.; Fedorov, F.I.

    1979-01-01

    The problems concerning the use of quaternion interpretation of the Lorentz group vector parametrization are considered for solving relativistic kinematics problems. A vector theory convenient for describing the characteristic features of the Lobachevsky space is suggested. The kinematics of elementary particle scattering is investigated on the basis of this theory. A synthesis of vector parametrization and of quaternion calculation has been shown to lead to natural formulation of the theory of vectors in the three-dimensional Lobachevsky space, realized on mass hyperboloids of relativistic particles

  17. Relativistic heavy ion collisions

    International Nuclear Information System (INIS)

    Barz, H.W.; Kaempfer, B.; Schulz, H.

    1984-12-01

    An elementary introduction is given into the scenario of relativistic heavy ion collisions. It deals with relativistic kinematics and estimates of energy densities, extrapolations of the present knowledge of hadron-hadron and hadron-nuleus to nucleus-nucleus collisions, the properties of the quark-gluon plasma and the formation of the plasma and possible experimental signatures. Comments are made on a cosmic ray experiment which could be interpreted as a first indication of the quark-gluon phase of the matter. (author)

  18. Relativistic particle in a box

    OpenAIRE

    Alberto, P.; Fiolhais, Carlos; Gil, Victor

    1996-01-01

    The problem of a relativistic spin 1/2 particle confined to a one-dimensional box is solved in a way that resembles closely the solution of the well known quantum-mechanical textbook problem of a non-relativistic particle in a box. The energy levels and probability density are computed and compared with the non-relativistic case

  19. Electronic states and nature of bonding of the molecule NiGe by all electron ab initio Hartree–Fock (HF) and configuration interaction (CI) calculations and mass spectrometric equilibrium experiments

    DEFF Research Database (Denmark)

    Shim, Irene; Kingcade, Joseph E.; Gingerich, Karl A.

    1988-01-01

    -lying electronic states of the NiGe molecule have all been characterized by the symmetry of the hole in the 3d shell of Ni. The dissociation energy of the NiGe molecule has been determined from our high temperature mass spectrometric equilibrium data in combination with the theoretical results as D [open circle] 0...... =286.8±10.9 kJ mol−1. The standard heat of formation of the NiGe molecule has been obtained as DeltaH [open circle] f,298 =514±12 kJ mol−1. The Journal of Chemical Physics is copyrighted by The American Institute of Physics....

  20. Lifetime broadening and CI-resonances observed in ESCA

    International Nuclear Information System (INIS)

    Svensson, S.; Maartensson, N.; Basilier, E.; Malmquist, P.Aa.; Gelius, U.; Siegbahn, K.

    1976-03-01

    The electron spectrum of the M 2 and M 3 levels in bromine and krypton have been studied by high resolution ESCA. The M 1 Msub(2,3) super Coster-Kronig transitions become energetically forbidden for Z >approximately 36 (Kr) and recent calculations therefore predict a decrease in the M 2 and M 3 natural linewidths around krypton in the periodic system. The experiment shows that the 3psub(3/2) linewidth is smaller in Kr than in Br. It is, however, also found that this decrease in linewidth is followed by configuration interaction (CI) between 3p 2 P and 3d 2 nl * 2 P states. Several discrete CI resonances are observed in the Kr 3p spectrum. Such resonances are also studied in the N shell for the elements from Te(Z=52) to Ba(Z=56). For these elements the effect is found to be much larger due to the strong collective character of 4d-nf* excitations. (Auth.)

  1. Relativistic impulse dynamics.

    Science.gov (United States)

    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.

  2. Non-relativistic supersymmetry

    International Nuclear Information System (INIS)

    Clark, T.E.; Love, S.T.

    1984-01-01

    The most general one- and two-body hamiltonian invariant under galilean supersymmetry is constructed in superspace. The corresponding Feynman rules are given for the superfield Green functions. As demonstrated by a simple example, it is straightforward to construct models in which the supersymmetry is spontaneously broken by the non-relativistic vacuum. (orig.)

  3. Relativistic stellar dynamics

    International Nuclear Information System (INIS)

    Contopoulos, G.

    1983-01-01

    In this paper, three main areas of relativistic stellar dynamics are reviewed: (a) The dynamics of clusters, or nuclei of galaxies, of very high density; (b) The dynamics of systems containing a massive black hole; and (c) The dynamics of particles (and photons) in an expanding Universe. The emphasis is on the use of orbit perturbations. (Auth.)

  4. Relativistic Wigner functions

    Directory of Open Access Journals (Sweden)

    Bialynicki-Birula Iwo

    2014-01-01

    Full Text Available Original definition of the Wigner function can be extended in a natural manner to relativistic domain in the framework of quantum field theory. Three such generalizations are described. They cover the cases of the Dirac particles, the photon, and the full electromagnetic field.

  5. The Relativistic Rocket

    Science.gov (United States)

    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…

  6. Relativistic few body calculations

    International Nuclear Information System (INIS)

    Gross, F.

    1988-01-01

    A modern treatment of the nuclear few-body problem must take into account both the quark structure of baryons and mesons, which should be important at short range, and the relativistic exchange of mesons, which describes the long range, peripheral interactions. A way to model both of these aspects is described. The long range, peripheral interactions are calculated using the spectator model, a general approach in which the spectators to nucleon interactions are put on their mass-shell. Recent numerical results for a relativistic OBE model of the NN interaction, obtained by solving a relativistic equation with one-particle on mass-shell, will be presented and discussed. Two meson exchange models, one with only four mesons (π,σ,/rho/,ω) but with a 25% admixture of γ 5 coupling for the pion, and a second with six mesons (π,σ,/rho/,ω,δ,/eta/) but pure γ 5 γ/sup μ/ pion coupling, are shown to give very good quantitative fits to the NN scattering phase shifts below 400 MeV, and also a good description of the /rvec p/ 40 Ca elastic scattering observables. Applications of this model to electromagnetic interactions of the two body system, with emphasis on the determination of relativistic current operators consistent with the dynamics and the exact treatment of current conservation in the presence of phenomenological form factors, will be described. 18 refs., 8 figs

  7. Relativistic Polarizable Embedding

    DEFF Research Database (Denmark)

    Hedegård, Erik Donovan; Bast, Radovan; Kongsted, Jacob

    2017-01-01

    Most chemistry, including chemistry where relativistic effects are important, occurs in an environment, and in many cases, this environment has a significant effect on the chemistry. In nonrelativistic quantum chemistry, a lot of progress has been achieved with respect to including environments s...

  8. Relativistic length agony continued

    Directory of Open Access Journals (Sweden)

    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

  9. Relativistic Coulomb excitation

    International Nuclear Information System (INIS)

    Winther, A.; Alder, K.

    1979-01-01

    Coulomb excitation of both target and projectile in relativistic heavy ion collisions is evaluated including the lowest order correction for the deviation from a straight line trajectory. Explicit results for differential and total cross sections are given in the form of tables and figures. (Auth.)

  10. Fundamental Relativistic Rotator

    International Nuclear Information System (INIS)

    Staruszkiewicz, A.

    2008-01-01

    Professor Jan Weyssenhoff was Myron Mathisson's sponsor and collaborator. He introduced a class of objects known in Cracow as '' kreciolki Weyssenhoffa '', '' Weyssenhoff's rotating little beasts ''. The Author describes a particularly simple object from this class. The relativistic rotator described in the paper is such that its both Casimir invariants are parameters rather than constants of motion. (author)

  11. Ciência no globo-ciência

    OpenAIRE

    Mendonça,Otávio Machado Lopes de

    1996-01-01

    O objetivo da presente pesquisa foi verificar as áreas de conhecimento científico que se fizeram presentes na programação do Globo-Ciência, veiculada pela Rede Globo de Televisão,verificando também as estratégias usadas e o material empregado como recursos didáticos. O material utilizado foi o catálogo da programação do Globo-Ciência-10 anos (1984-1994). Os resultados mostram que as Ciências Exatas e da Terra foi a mais apresentada no programa com 49,65%,havendo pouco espaço para as outras, v...

  12. Relativistic Quantum Mechanics

    International Nuclear Information System (INIS)

    Antoine, J-P

    2004-01-01

    The aim of relativistic quantum mechanics is to describe the finer details of the structure of atoms and molecules, where relativistic effects become nonnegligible. It is a sort of intermediate realm, between the familiar nonrelativistic quantum mechanics and fully relativistic quantum field theory, and thus it lacks the simplicity and elegance of both. Yet it is a necessary tool, mostly for quantum chemists. Pilkuhn's book offers to this audience an up-to-date survey of these methods, which is quite welcome since most previous textbooks are at least ten years old. The point of view of the author is to start immediately in the relativistic domain, following the lead of Maxwell's equations rather than classical mechanics, and thus to treat the nonrelativistic version as an approximation. Thus Chapter 1 takes off from Maxwell's equations (in the noncovariant Coulomb gauge) and gradually derives the basic aspects of Quantum Mechanics in a rather pedestrian way (states and observables, Hilbert space, operators, quantum measurement, scattering,. Chapter 2 starts with the Lorentz transformations, then continues with the Pauli spin equation and the Dirac equation and some of their applications (notably the hydrogen atom). Chapter 3 is entitled 'Quantum fields and particles', but falls short of treating quantum field theory properly: only creation/annihilation operators are considered, for a particle in a box. The emphasis is on two-electron states (the Pauli principle, the Foldy--Wouthuysen elimination of small components of Dirac spinors, Breit projection operators. Chapter 4 is devoted to scattering theory and the description of relativistic bound states. Chapter 5, finally, covers hyperfine interactions and radiative corrections. As we said above, relativistic quantum mechanics is by nature limited in scope and rather inelegant and Pilkuhn's book is no exception. The notation is often heavy (mostly noncovariant) and the mathematical level rather low. The central topic

  13. X-ray M4,5 Resonant Raman Scattering from La metal with final 4p hole: Calculations with 4p-4d-4f configuration interaction in the final state and comparison with the experiment

    International Nuclear Information System (INIS)

    Taguchi, M.; Braicovich, L.; Tagliaferri, A.; Dallera, C.; Giarda, K.; Ghiringhelli, G.; Brookes, N.B.; Borgatti, F.

    2001-03-01

    We consider the X-Ray Resonant Raman Scattering (RRS) in La in the whole M 4,5 region ending with a state with a 4p hole, along the sequence 3d 10 4f 0 →3d 9 4f 1 →3d 10 4p 5 4f 1 . The final state configuration mixes with that with two 4d holes i.e. 3d 10 4d 8 4f n+2 having almost the same energy. Thus RRS must be described by introducing final state Configuration Interaction (CI) between states with one 4p hole and with two 4d holes. This approach allows detailed experimental data on La-metal to be interpreted on the basis of a purely ionic approach. It is shown that the inclusion of CI is crucial and has very clear effects. The calculations with the Kramers-Heisenberg formula describe all measured spectral features appearing in the strict Raman regime i.e. dispersing with the incident photon energy. In the experiment also a nondispersive component is present when the excitation energy is greater than about 2 eV above the M 5 peak. The shape and position of this component is well accounted for by a model based on all possible partitions of the excitation energy between localised and extended states. However, the intensity of the nondispersive component is greater in the measurements, suggesting a rearrangement in the intermediate excited state. The comparison of ionic calculations with the metal measurements is legitimate, as shown by the comparison between the measurements on La-metal and on LaF 3 with M 5 excitation, giving the same spectrum within the experimental accuracy. Moreover, the experiment shows that the final lifetime broadening is much greater in the final states corresponding to lower outgoing photon energies than in the states corresponding to higher outgoing photon energies. (author)

  14. Loop-driven graphical unitary group approach to the electron correlation problem, including configuration interaction energy gradients

    International Nuclear Information System (INIS)

    Brooks, B.R.

    1979-09-01

    The Graphical Unitary Group Approach (GUGA) was cast into an extraordinarily powerful form by restructuring the Hamiltonian in terms of loop types. This restructuring allows the adoption of the loop-driven formulation which illuminates vast numbers of previously unappreciated relationships between otherwise distinct Hamiltonian matrix elements. The theoretical/methodological contributions made here include the development of the loop-driven formula generation algorithm, a solution of the upper walk problem used to develop a loop breakdown algorithm, the restriction of configuration space employed to the multireference interacting space, and the restructuring of the Hamiltonian in terms of loop types. Several other developments are presented and discussed. Among these developments are the use of new segment coefficients, improvements in the loop-driven algorithm, implicit generation of loops wholly within the external space adapted within the framework of the loop-driven methodology, and comparisons of the diagonalization tape method to the direct method. It is also shown how it is possible to implement the GUGA method without the time-consuming full (m 5 ) four-index transformation. A particularly promising new direction presented here involves the use of the GUGA methodology to obtain one-electron and two-electron density matrices. Once these are known, analytical gradients (first derivatives) of the CI potential energy are easily obtained. Several test calculations are examined in detail to illustrate the unique features of the method. Also included is a calculation on the asymmetric 2 1 A' state of SO 2 with 23,613 configurations to demonstrate methods for the diagonalization of very large matrices on a minicomputer. 6 figures, 6 tables

  15. The relativistic gravity train

    Science.gov (United States)

    Seel, Max

    2018-05-01

    The gravity train that takes 42.2 min from any point A to any other point B that is connected by a straight-line tunnel through Earth has captured the imagination more than most other applications in calculus or introductory physics courses. Brachystochron and, most recently, nonlinear density solutions have been discussed. Here relativistic corrections are presented. It is discussed how the corrections affect the time to fall through Earth, the Sun, a white dwarf, a neutron star, and—the ultimate limit—the difference in time measured by a moving, a stationary and the fiducial observer at infinity if the density of the sphere approaches the density of a black hole. The relativistic gravity train can serve as a problem with approximate and exact analytic solutions and as numerical exercise in any introductory course on relativity.

  16. Relativistic gravitational instabilities

    International Nuclear Information System (INIS)

    Schutz, B.F.

    1987-01-01

    The purpose of these lectures is to review and explain what is known about the stability of relativistic stars and black holes, with particular emphases on two instabilities which are due entirely to relativistic effects. The first of these is the post-Newtonian pulsational instability discovered independently by Chandrasekhar (1964) and Fowler (1964). This effectively ruled out the then-popular supermassive star model for quasars, and it sets a limit to the central density of white dwarfs. The second instability was also discovered by Chandrasekhar (1970): the gravitational wave induced instability. This sets an upper bound on the rotation rate of neutron stars, which is near that of the millisecond pulsar PSR 1937+214, and which is beginning to constrain the equation of state of neutron matter. 111 references, 5 figures

  17. Relativistic studies in actinides

    International Nuclear Information System (INIS)

    Weinberger, P.; Gonis, A.

    1987-01-01

    In this review the theoretical background is given for a relativistic description for actinide systems. A short introduction is given of the density functional theory which forms the basis for a fully relativistic single-particle theory. A section on the Dirac Hamiltonian is followed by a brief summary on group theoretical concepts. Single site scattering is presented such that formal extensions to the case of the presence of an internal (external) magnetic field and/or anisotropic scattering are evident. Multiple scattering is discussed such that it can readily be applied also to the problem of dislocations. In connection with the problem of selfconsistency particular attention is drawn to the use of complex energies. Finally the various theoretical aspects discussed are illustrated through the results of numerical calculations. 101 refs.; 37 figs.; 5 tabs

  18. Relativistic charged Bose gas

    International Nuclear Information System (INIS)

    Hines, D.F.; Frankel, N.E.

    1979-01-01

    The charged Bose has been previously studied as a many body problem of great intrinsic interest which can also serve as a model of some real physical systems, for example, superconductors, white dwarf stars and neutron stars. In this article the excitation spectrum of a relativistic spin-zero charged Bose gas is obtained in a dielectric response formulation. Relativity introduces a dip in the spectrum and consequences of this dip for the thermodynamic functions are discussed

  19. Relativistic heavy ion reactions

    Energy Technology Data Exchange (ETDEWEB)

    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.

  20. Relativistic Ideal Clock

    OpenAIRE

    Bratek, Łukasz

    2015-01-01

    Two particularly simple ideal clocks exhibiting intrinsic circular motion with the speed of light and opposite spin alignment are described. The clocks are singled out by singularities of an inverse Legendre transformation for relativistic rotators of which mass and spin are fixed parameters. Such clocks work always the same way, no matter how they move. When subject to high accelerations or falling in strong gravitational fields of black holes, the clocks could be used to test the clock hypo...

  1. Relativistic heavy ion reactions

    International Nuclear Information System (INIS)

    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

  2. Gravitationally confined relativistic neutrinos

    Science.gov (United States)

    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.

  3. Point form relativistic quantum mechanics and relativistic SU(6)

    Science.gov (United States)

    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.

  4. The CI:Marketing interface

    OpenAIRE

    Wright, Sheila

    2005-01-01

    The potential for CI to inform and influence marketing decisions is increasing and this combination can deliver an enviable competitive advantage. Simply knowing more about competitors is not enough. It is what the firm does with that information and how it weaves it into its decision making process which makes the difference. In a large number of organisations, private or public, it is the Marketing Department which carries the responsibility for critical activities such as customer manageme...

  5. Application of the graphical unitary group approach to the energy second derivative for CI wave functions via the coupled perturbed CI equations

    International Nuclear Information System (INIS)

    Fox, D.J.

    1983-10-01

    Analytic derivatives of the potential energy for Self-Consistent-Field (SCF) wave functions have been developed in recent years and found to be useful tools. The first derivative for configuration interaction (CI) wave functions is also available. This work details the extension of analytic methods to energy second derivatives for CI wave functions. The principal extension required for second derivatives is evaluation of the first order change in the CI wave function with respect to a nuclear perturbation. The shape driven graphical unitary group approach (SDGUGA) direct CI program was adapted to evaluate this term via the coupled-perturbed CI equations. Several iterative schemes are compared for use in solving these equations. The pilot program makes no use of molecular symmetry but the timing results show that utilization of molecular symmetry is desirable. The principles for defining and solving a set of symmetry adapted equations are discussed. Evaluation of the second derivative also requires the solution of the second order coupled-perturbed Hartree-Fock equations to obtain the correction to the molecular orbitals due to the nuclear perturbation. This process takes a consistently higher percentage of the computation time than for the first order equations alone and a strategy for its reduction is discussed

  6. A modified CAS-CI approach for an efficient calculation of magnetic exchange coupling constants

    Science.gov (United States)

    Fink, Karin; Staemmler, Volker

    2013-09-01

    A modification of the conventional wavefunction-based CAS-CI method for the calculation of magnetic exchange coupling constants J in small molecules and transition metal complexes is presented. In general, CAS-CI approaches yield much too small values for J since the energies of the important charge transfer configurations are calculated with the ground state orbitals and are therefore much too high. In the present approach we improve these energies by accounting for the relaxation of the orbitals in the charge transfer configurations. The necessary relaxation energies R can be obtained in separate calculations using mononuclear or binuclear model systems. The method is applied to a few examples, small molecules, binuclear transition metal complexes, and bulk NiO. It allows to obtaining fairly reliable estimates for J at costs that are not higher than those of conventional CAS-CI calculations. Therefore, extended and very time-consuming perturbation theory (PT2), configuration interaction (CI), or coupled cluster (CC) schemes on top of the CAS-CI calculation can be avoided and the modified CAS-CI (MCAS-CI) approach can be applied to rather large systems.

  7. Relativistic Outflows from ADAFs

    Science.gov (United States)

    Becker, Peter; Subramanian, Prasad; Kazanas, Demosthenes

    2001-04-01

    Advection-dominated accretion flows (ADAFs) have a positive Bernoulli parameter, and are therefore gravitationally bound. The Newtonian ADAF model has been generalized recently to obtain the ADIOS model that includes outflows of energy and angular momentum, thereby allowing accretion to proceed self-consistently. However, the utilization of a Newtonian gravitational potential limits the ability of this model to describe the inner region of the disk, where any relativistic outflows are likely to originate. In this paper we modify the ADIOS scenario to incorporate a seudo - Newtonian potential, which approximates the effects of general relativity. The analysis yields a unique, self - similar solution for the structure of the coupled disk/wind system. Interesting features of the new solution include the relativistic character of the outflow in the vicinity of the radius of marginal stability, which represents the inner edge of the quasi-Keplerian disk in our model. Our self - similar model may therefore help to explain the origin of relativistic jets in active galaxies. At large distances the radial dependence of the accretion rate approachs the unique form dot M ∝ r^1/2, with an associated density variation given by ρ ∝ r-1. This density variation agrees with that implied by the dependence of the X-ray hard time lags on the Fourier frequency for a number of accreting galactic black hole candidates. While intriguing, the results of our self-similar model need to be confirmed in the future by incorporating a detailed physical description of the energization mechanism that drives the outflow, which is likely to be powered by the shear of the underlying accretion disk.

  8. VELoCiRaPTORS.

    Science.gov (United States)

    Lundgren, J.; Esham, B.; Padalino, S. J.; Sangster, T. C.; Glebov, V.

    2007-11-01

    The Venting and Exhausting of Low Level Air Contaminants in the Rapid Pneumatic Transport of Radioactive Samples (VELoCiRaPTORS) system is constructed to transport radioactive materials quickly and safely at the NIF. A radioactive sample will be placed inside a carrier that is transported via an airflow system produced by controlled differential pressure. Midway through the transportation process, the carrier will be stopped and vented by a powered exhaust blower which will remove radioactive gases within the transport carrier. A Geiger counter will monitor the activity of the exhaust gas to ensure that it is below acceptable levels. If the radiation level is sufficient, the carrier will pass through the remainder of the system, pneumatically braking at the counting station. The complete design will run manually or automatically with control software. Tests were performed using an inactive carrier to determine possible transportation problems. The system underwent many consecutive trials without failure. VELoCiRaPTORS is a prototype of a system that could be installed at both the Laboratory for Laser Energetics at the University of Rochester and the National Ignition Facility at LLNL.

  9. Relativistic twins or sextuplets?

    International Nuclear Information System (INIS)

    Sheldon, Eric

    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

  10. Relativistic twins or sextuplets?

    CERN Document Server

    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.

  11. Relativistic quantum cryptography

    Science.gov (United States)

    Kaniewski, Jedrzej

    Special relativity states that information cannot travel faster than the speed of light, which means that communication between agents occupying distinct locations incurs some minimal delay. Alternatively, we can see it as temporary communication constraints between distinct agents and such constraints turn out to be useful for cryptographic purposes. In relativistic cryptography we consider protocols in which interactions occur at distinct locations at well-defined times and we investigate why such a setting allows to implement primitives which would not be possible otherwise. (Abstract shortened by UMI.).

  12. Relativistic distances, sizes, lengths

    International Nuclear Information System (INIS)

    Strel'tsov, V.N.

    1992-01-01

    Such notion as light or retarded distance, field size, formation way, visible size of a body, relativistic or radar length and wave length of light from a moving atom are considered. The relation between these notions is cleared up, their classification is given. It is stressed that the formation way is defined by the field size of a moving particle. In the case of the electromagnetic field, longitudinal sizes increase proportionally γ 2 with growing charge velocity (γ is the Lorentz-factor). 18 refs

  13. Localization of relativistic particles

    International Nuclear Information System (INIS)

    Omnes, R.

    1997-01-01

    In order to discuss localization experiments and also to extend the consistent history interpretation of quantum mechanics to relativistic properties, the techniques introduced in a previous paper [J. Math. Phys. 38, 697 (1997)] are applied to the localization of a photon in a given region of space. An essential requirement is to exclude arbitrarily large wavelengths. The method is valid for a particle with any mass and spin. Though there is no proper position operator for a photon, one never needs one in practice. Causality is valid up to exponentially small corrections. copyright 1997 American Institute of Physics

  14. Relativistic wave mechanics

    CERN Document Server

    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

  15. Relativistic quarkonium dynamics

    International Nuclear Information System (INIS)

    Sazdjian, H.

    1985-06-01

    We present, in the framework of relativistic quantum mechanics of two interacting particles, a general model for quarkonium systems satisfying the following four requirements: confinement, spontaneous breakdown of chiral symmetry, soft explicit chiral symmetry breaking, short distance interactions of the vector type. The model is characterized by two arbitrary scalar functions entering in the large and short distance interaction potentials, respectively. Using relationships with corresponding quantities of the Bethe-Salpeter equation, we also present the normalization condition of the wave functions, as well as the expressions of the meson decay coupling constants. The quark masses appear in this model as free parameters

  16. Proton relativistic model

    International Nuclear Information System (INIS)

    Araujo, Wilson Roberto Barbosa de

    1995-01-01

    In this dissertation, we present a model for the nucleon, which is composed by three relativistic quarks interacting through a contract force. The nucleon wave-function was obtained from the Faddeev equation in the null-plane. The covariance of the model under kinematical null-plane boots is discussed. The electric proton form-factor, calculated from the Faddeev wave-function, was in agreement with the data for low-momentum transfers and described qualitatively the asymptotic region for momentum transfers around 2 GeV. (author)

  17. Relativistic nuclear collisions: theory

    International Nuclear Information System (INIS)

    Gyulassy, M.

    1980-07-01

    Some of the recent theoretical developments in relativistic (0.5 to 2.0-GeV/nucleon) nuclear collisions are reviewed. The statistical model, hydrodynamic model, classical equation of motion calculations, billiard ball dynamics, and intranuclear cascade models are discussed in detail. Inclusive proton and pion spectra are analyzed for a variety of reactions. Particular attention is focused on how the complex interplay of the basic reaction mechanism hinders attempts to deduce the nuclear matter equation of state from data. 102 references, 19 figures

  18. [Relativistic heavy ion research

    International Nuclear Information System (INIS)

    1991-01-01

    The present document describes our second-year application for a continuation grant on relativistic heavy-ion research at Nevis Laboratories, Columbia University, over the two-year period starting from November 15, 1990. The progress during the current budget year is presented. This year, construction of RHIC officially began. As a result, the entire Nevis nuclear physics group has made a coherent effort to create new proposal for an Open Axially Symmetric Ion Spectrometer (OASIS) proposal. Future perspectives and our plans for this proposal are described

  19. Relativistic approach to nuclear structure

    International Nuclear Information System (INIS)

    Nguyen Van Giai; Bouyssy, A.

    1987-03-01

    Some recent works related with relativistic models of nuclear structure are briefly reviewed. The Dirac-Hartree-Fock and Dirac-Brueckner-Hartree-Fock are recalled and illustrated by some examples. The problem of isoscalar current and magnetic moments of odd nuclei is discussed. The application of the relativistic model to the nuclear response function is examined

  20. Relativistic dynamics without conservation laws

    OpenAIRE

    Rothenstein, Bernhard; Popescu, Stefan

    2006-01-01

    We show that relativistic dynamics can be approached without using conservation laws (conservation of momentum, of energy and of the centre of mass). Our approach avoids collisions that are not easy to teach without mnemonic aids. The derivations are based on the principle of relativity and on its direct consequence, the addition law of relativistic velocities.

  1. Relativistic non-Hamiltonian mechanics

    International Nuclear Information System (INIS)

    Tarasov, Vasily E.

    2010-01-01

    Relativistic particle subjected to a general 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 μ u μ + c 2 = 0, where c is the speed of light in vacuum. In the general case, four-forces are non-potential, and the relativistic particle is a non-Hamiltonian system in four-dimensional pseudo-Euclidean space-time. We consider non-Hamiltonian and dissipative systems in relativistic mechanics. Covariant forms of the principle of stationary action and the Hamilton's principle for relativistic mechanics of non-Hamiltonian systems are discussed. The equivalence of these principles is considered for relativistic particles subjected to potential and non-potential forces. We note that the equations of motion which follow from the Hamilton's principle are not equivalent to the equations which follow from the variational principle of stationary action. The Hamilton's principle and the principle of stationary action are not compatible in the case of systems with nonholonomic constraint and the potential forces. The principle of stationary action for relativistic particle subjected to non-potential forces can be used if the Helmholtz conditions are satisfied. The Hamilton's principle and the principle of stationary action are equivalent only for a special class of relativistic non-Hamiltonian systems.

  2. Contraint's theory and relativistic dynamics

    International Nuclear Information System (INIS)

    Longhi, G.; Lusanna, L.

    1987-01-01

    The purpose of this Workshop was to examine the current situation of relativistic dynamics. In particular, Dirac-Bergmann's theory of constraints, which lies at the heart of gauge theories, general relativity, relativistic mechanics and string theories, was chosen as the unifying theoretical framework best suited to investigate such a field. The papers discussed were on general relativity; relativistic mechanics; particle physics and mathematical physics. Also discussed were the problems of classical and quantum level, namely the identification of the classical observables of constrained systems, the equivalence of the nonequivalence of the various ways to quantize such systems; the problem of the anomalies; the best geometrical approach to the theory of constraints; the possibility of unifying all the treatments of relativistic mechanics. This book compiles the papers presented at proceedings of relativistic dynamics and constraints theory

  3. Relativistic centrifugal instability

    Science.gov (United States)

    Gourgouliatos, Konstantinos N.; Komissarov, Serguei S.

    2018-03-01

    Near the central engine, many astrophysical jets are expected to rotate about their axis. Further out they are expected to go through the processes of reconfinement and recollimation. In both these cases, the flow streams along a concave surface and hence, it is subject to the centrifugal force. It is well known that such flows may experience the centrifugal instability (CFI), to which there are many laboratory examples. The recent computer simulations of relativistic jets from active galactic nuclei undergoing the process of reconfinement show that in such jets CFI may dominate over the Kelvin-Helmholtz instability associated with velocity shear (Gourgouliatos & Komissarov). In this letter, we generalize the Rayleigh criterion for CFI in rotating fluids to relativistic flows using a heuristic analysis. We also present the results of computer simulations which support our analytic criterion for the case of an interface separating two uniformly rotating cylindrical flows. We discuss the difference between CFI and the Rayleigh-Taylor instability in flows with curved streamlines.

  4. Relativistic heavy ion physics

    International Nuclear Information System (INIS)

    Hill, J.C.; Wohn, F.K.

    1992-01-01

    In 1992 a proposal by the Iowa State University experimental nuclear physics group entitled ''Relativistic Heavy Ion Physics'' was funded by the US Department of Energy, Office of Energy Research, for a three-year period beginning November 15, 1991. This is a progress report for the first six months of that period but, in order to give a wider perspective, we report here on progress made since the beginning of calendar year 1991. In the first section, entitled ''Purpose and Trends,'' we give some background on the recent trends in our research program and its evolution from an emphasis on nuclear structure physics to its present emphasis on relativistic heavy ion and RHIC physics. The next section, entitled, ''Physics Research Programs,'' is divided into three parts. First, we discuss our participation in the program to develop a large detector named PHENIX for the RHIC accelerator. Second, we outline progress made in the study of electromagnetic dissociation (ED). A highlight of this endeavor is experiments carried out with the 197 Au beam from the AGS accelerator in April 1991. Third, we discuss progress in completion of our nuclear structure studies. In the final section a list of publications, invited talks and contributed talks starting in 1991 is given

  5. Tensor contraction engine: Abstraction and automated parallel implementation of configuration-interaction, coupled-cluster, and many-body perturbation theories

    International Nuclear Information System (INIS)

    Hirata, So

    2003-01-01

    We develop a symbolic manipulation program and program generator (Tensor Contraction Engine or TCE) that automatically derives the working equations of a well-defined model of second-quantized many-electron theories and synthesizes efficient parallel computer programs on the basis of these equations. Provided an ansatz of a many-electron theory model, TCE performs valid contractions of creation and annihilation operators according to Wick's theorem, consolidates identical terms, and reduces the expressions into the form of multiple tensor contractions acted by permutation operators. Subsequently, it determines the binary contraction order for each multiple tensor contraction with the minimal operation and memory cost, factorizes common binary contractions (defines intermediate tensors), and identifies reusable intermediates. The resulting ordered list of binary tensor contractions, additions, and index permutations is translated into an optimized program that is combined with the NWChem and UTChem computational chemistry software packages. The programs synthesized by TCE take advantage of spin symmetry, Abelian point-group symmetry, and index permutation symmetry at every stage of calculations to minimize the number of arithmetic operations and storage requirement, adjust the peak local memory usage by index range tiling, and support parallel I/O interfaces and dynamic load balancing for parallel executions. We demonstrate the utility of TCE through automatic derivation and implementation of parallel programs for various models of configuration-interaction theory (CISD, CISDT, CISDTQ), many-body perturbation theory[MBPT(2), MBPT(3), MBPT(4)], and coupled-cluster theory (LCCD, CCD, LCCSD, CCSD, QCISD, CCSDT, and CCSDTQ)

  6. Controlling the high frequency response of H{sub 2} by ultra-short tailored laser pulses: A time-dependent configuration interaction study

    Energy Technology Data Exchange (ETDEWEB)

    Schönborn, Jan Boyke; Saalfrank, Peter; Klamroth, Tillmann, E-mail: klamroth@uni-potsdam.de [Institut für Chemie, Universität Potsdam, Karl-Liebknecht-Str. 24-25, D-14476 Potsdam-Golm (Germany)

    2016-01-28

    We combine the stochastic pulse optimization (SPO) scheme with the time-dependent configuration interaction singles method in order to control the high frequency response of a simple molecular model system to a tailored femtosecond laser pulse. For this purpose, we use H{sub 2} treated in the fixed nuclei approximation. The SPO scheme, as similar genetic algorithms, is especially suited to control highly non-linear processes, which we consider here in the context of high harmonic generation. Here, we will demonstrate that SPO can be used to realize a “non-harmonic” response of H{sub 2} to a laser pulse. Specifically, we will show how adding low intensity side frequencies to the dominant carrier frequency of the laser pulse and stochastically optimizing their contribution can create a high-frequency spectral signal of significant intensity, not harmonic to the carrier frequency. At the same time, it is possible to suppress the harmonic signals in the same spectral region, although the carrier frequency is kept dominant during the optimization.

  7. Free electrons and ionic liquids: study of excited states by means of electron-energy loss spectroscopy and the density functional theory multireference configuration interaction method.

    Science.gov (United States)

    Regeta, Khrystyna; Bannwarth, Christoph; Grimme, Stefan; Allan, Michael

    2015-06-28

    The technique of low energy (0-30 eV) electron impact spectroscopy, originally developed for gas phase molecules, is applied to room temperature ionic liquids (IL). Electron energy loss (EEL) spectra recorded near threshold, by collecting 0-2 eV electrons, are largely continuous, assigned to excitation of a quasi-continuum of high overtones and combination vibrations of low-frequency modes. EEL spectra recorded by collecting 10 eV electrons show predominantly discrete vibrational and electronic bands. The vibrational energy-loss spectra correspond well to IR spectra except for a broadening (∼0.04 eV) caused by the liquid surroundings, and enhanced overtone activity indicating a contribution from resonant excitation mechanism. The spectra of four representative ILs were recorded in the energy range of electronic excitations and compared to density functional theory multireference configuration interaction (DFT/MRCI) calculations, with good agreement. The spectra up to about 8 eV are dominated by π-π* transitions of the aromatic cations. The lowest bands were identified as triplet states. The spectral region 2-8 eV was empty in the case of a cation without π orbitals. The EEL spectrum of a saturated solution of methylene green in an IL band showed the methylene green EEL band at 2 eV, indicating that ILs may be used as a host to study nonvolatile compounds by this technique in the future.

  8. Gaussian-2 theory: Use of higher level correlation methods, quadratic configuration interaction geometries, and second-order Moller--Plesset zero-point energies

    International Nuclear Information System (INIS)

    Curtiss, L.A.; Raghavachari, K.; Pople, J.A.

    1995-01-01

    The performance of Gaussian-2 theory is investigated when higher level theoretical methods are included for correlation effects, geometries, and zero-point energies. A higher level of correlation treatment is examined using Brueckner doubles [BD(T)] and coupled cluster [CCSD(T)] methods rather than quadratic configuration interaction [QCISD(T)]. The use of geometries optimized at the QCISD level rather than the second-order Moller--Plesset level (MP2) and the use of scaled MP2 zero-point energies rather than scaled Hartree--Fock (HF) zero-point energies have also been examined. The set of 125 energies used for validation of G2 theory [J. Chem. Phys. 94, 7221 (1991)] is used to test out these variations of G2 theory. Inclusion of higher levels of correlation treatment has little effect except in the cases of multiply-bonded systems. In these cases better agreement is obtained in some cases and poorer agreement in others so that there is no improvement in overall performance. The use of QCISD geometries yields significantly better agreement with experiment for several cases including the ionization potentials of CS and O 2 , electron affinity of CN, and dissociation energies of N 2 , O 2 , CN, and SO 2 . This leads to a slightly better agreement with experiment overall. The MP2 zero-point energies gives no overall improvement. These methods may be useful for specific systems

  9. The 3d8-(3d74p + 3p53d9) transitions in Br X: A striking case of configuration interaction

    International Nuclear Information System (INIS)

    Kleef, T.A.M. van; Uylings, P.H.M.; Ryabtsev, A.N.; Podobedova, L.I.; Joshi, Y.N.

    1988-01-01

    The spectrum of nine times ionized bromine (Br X) was photographed in the 90-120 A wavelength region on a variety of grazing incidence spectrographs using an open spark and a triggered spark as light sources. The analysis of the 3d 8 -(3d 7 4p + 3p 5 3d 9 ) transitions has resulted in establishing all 9 levels of the 3d 8 configuration, all 12 levels of the 3p 5 3d 9 configuration and 99 out of 110 levels of the 3d 7 4p configuration. The excitation probability of the 3p inner-shell electron increases with nuclear charge and in Br X is comparable with the excitation probability of the optical electrons resulting in a very strong configuration interaction between the 3p 5 3d 9 and 3d 7 4p configurations. Parametric calculations treating these configurations as one super configuration support the analysis. Two hundred and thirty two lines have been classified in this spectrum. (orig.)

  10. Elementary relativistic atoms

    International Nuclear Information System (INIS)

    Nemenov, L.

    2001-01-01

    The Coulomb interaction which occurs in the final state between two particles with opposite charges allows for creation of the bound state of these particles. In the case when particles are generated with large momentum in lab frame, the Lorentz factors of the bound state will also be much larger than one. The relativistic velocity of the atoms provides the opportunity to observe bound states of (π + μ - ), (π + π - ) and (π + K - ) with a lifetime as short as 10 -16 s, and to measure their parameters. The ultrarelativistic positronium atoms (A 2e ) allow us to observe the e.ect of superpenetration in matter, to study the effects caused by the formation time of A 2e from virtual e + e - pairs and to investigate the process of transformation of two virtual particles into the bound state

  11. Photoionization at relativistic energies

    International Nuclear Information System (INIS)

    Ionescu, D.C.; Technische Univ. Dresden; Soerensen, A.H.; Belkacem, A.

    2000-11-01

    At MeV energies and beyond the inner-shell vacancy production cross section associated with the photoelectric and Compton effect decrease with increasing photon energy. However, when the photon energy exceeds twice the rest energy of the electron, ionization of a bound electron may be catalyzed by the creation of an electron-positron pair. Distinctly different from all other known mechanisms for inner-shell vacancy production by photons, we show that the cross section for this ''vacuum-assisted photoionization'' increases with increasing photon energy and then saturates. As a main result, we predict that vacuum-assisted photoionization will dominate the other known photoionization mechanisms in the highly relativistic energy regime. (orig.)

  12. Relativistic thermodynamics of fluids

    International Nuclear Information System (INIS)

    Souriau, J.-M.

    1977-05-01

    The relativistic covariant definition of a statistical equilibrium, applied to a perfect gas, involves a 'temperature four-vector', whose direction is the mean velocity of the fluid, and whose length is the reciprocal temperature. The hypothesis of this 'temperature four-vector' being a relevant variable for the description of the dissipative motions of a simple fluid is discussed. The kinematics is defined by using a vector field and measuring the number of molecules. Such a dissipative fluid is subject to motions involving null entropy generation; the 'temperature four-vector' is then a Killing vector; the equations of motion can be completely integrated. Perfect fluids can be studied by this way and the classical results of Lichnerowicz are obtained. In weakly dissipative motions two viscosity coefficient appear together with the heat conductibility coefficient. Two other coefficients perharps measurable on real fluids. Phase transitions and shock waves are described with using the model [fr

  13. Relativistic heavy ion physics

    International Nuclear Information System (INIS)

    Hill, J.C.; Wohn, F.K.

    1993-01-01

    This is a progress report for the period May 1992 through April 1993. The first section, entitled ''Purpose and Trends, gives background on the recent trends in the research program and its evolution from an emphasis on nuclear structure physics to its present emphasis on relativistic heavy ion and RHIC physics. The next section, entitled ''Physics Research Progress'', is divided into four parts: participation in the program to develop a large detector named PHENIX for the RHIC accelerator; joining E864 at the AGS accelerator and the role in that experiment; progress made in the study of electromagnetic dissociation highlight of this endeavor is an experiment carried out with the 197 Au beam from the AGS accelerator in April 1992; progress in completion of the nuclear structure studies. In the final section a list of publications, invited talks, and contributed talks is given

  14. Relativistic plasma dispersion functions

    International Nuclear Information System (INIS)

    Robinson, P.A.

    1986-01-01

    The known properties of plasma dispersion functions (PDF's) for waves in weakly relativistic, magnetized, thermal plasmas are reviewed and a large number of new results are presented. The PDF's required for the description of waves with small wave number perpendicular to the magnetic field (Dnestrovskii and Shkarofsky functions) are considered in detail; these functions also arise in certain quantum electrodynamical calculations involving strongly magnetized plasmas. Series, asymptotic series, recursion relations, integral forms, derivatives, differential equations, and approximations for these functions are discussed as are their analytic properties and connections with standard transcendental functions. In addition a more general class of PDF's relevant to waves of arbitrary perpendicular wave number is introduced and a range of properties of these functions are derived

  15. Relativistic Light Sails

    Energy Technology Data Exchange (ETDEWEB)

    Kipping, David, E-mail: dkipping@astro.columbia.edu [Department of Astronomy, Columbia University, 550 W. 120th St., New York, NY 10027 (United States)

    2017-06-01

    One proposed method for spacecraft to reach nearby stars is by accelerating sails using either solar radiation pressure or directed energy. This idea constitutes the thesis behind the Breakthrough Starshot project, which aims to accelerate a gram-mass spacecraft up to one-fifth the speed of light toward Proxima Centauri. For such a case, the combination of the sail’s low mass and relativistic velocity renders previous treatments incorrect at the 10% level, including that of Einstein himself in his seminal 1905 paper introducing special relativity. To address this, we present formulae for a sail’s acceleration, first in response to a single photon and then extended to an ensemble. We show how the sail’s motion in response to an ensemble of incident photons is equivalent to that of a single photon of energy equal to that of the ensemble. We use this principle of ensemble equivalence for both perfect and imperfect mirrors, enabling a simple analytic prediction of the sail’s velocity curve. Using our results and adopting putative parameters for Starshot , we estimate that previous relativistic treatments underestimate the spacecraft’s terminal velocity by ∼10% for the same incident energy. Additionally, we use a simple model to predict the sail’s temperature and diffraction beam losses during the laser firing period; this allows us to estimate that, for firing times of a few minutes and operating temperatures below 300°C (573 K), Starshot will require a sail that absorbs less than one in 260,000 photons.

  16. Relativistic Light Sails

    International Nuclear Information System (INIS)

    Kipping, David

    2017-01-01

    One proposed method for spacecraft to reach nearby stars is by accelerating sails using either solar radiation pressure or directed energy. This idea constitutes the thesis behind the Breakthrough Starshot project, which aims to accelerate a gram-mass spacecraft up to one-fifth the speed of light toward Proxima Centauri. For such a case, the combination of the sail’s low mass and relativistic velocity renders previous treatments incorrect at the 10% level, including that of Einstein himself in his seminal 1905 paper introducing special relativity. To address this, we present formulae for a sail’s acceleration, first in response to a single photon and then extended to an ensemble. We show how the sail’s motion in response to an ensemble of incident photons is equivalent to that of a single photon of energy equal to that of the ensemble. We use this principle of ensemble equivalence for both perfect and imperfect mirrors, enabling a simple analytic prediction of the sail’s velocity curve. Using our results and adopting putative parameters for Starshot , we estimate that previous relativistic treatments underestimate the spacecraft’s terminal velocity by ∼10% for the same incident energy. Additionally, we use a simple model to predict the sail’s temperature and diffraction beam losses during the laser firing period; this allows us to estimate that, for firing times of a few minutes and operating temperatures below 300°C (573 K), Starshot will require a sail that absorbs less than one in 260,000 photons.

  17. Rotating relativistic neutron stars

    Energy Technology Data Exchange (ETDEWEB)

    Weber, F.; Glendenning, N.K.

    1991-07-21

    Models of rotating neutron stars are constructed in the framework of Einstein's theory of general relativity. For this purpose a refined version of Hartle's method is applied. The properties of these objects, e.g. gravitational mass, equatorial and polar radius, eccentricity, red- and blueshift, quadrupole moment, are investigated for Kepler frequencies of 4000 s{sup {minus}1} {le} {Omega}{sub K} {le} 9000 s{sup {minus}1}. Therefore a self-consistency problem inherent in the determination of {Omega}{sub K} must be solved. The investigation is based on neutron star matter equations of state derived from the relativistic Martin-Schwinger hierarch of coupled Green's functions. By means of introducing the Hartree, Hartree-Fock, and ladder ({Lambda}) approximations, models of the equation of state derived. A special feature of the latter approximation scheme is the inclusion of dynamical two-particle correlations. These have been calculated from the relativistic T-matrix applying both the HEA and Bonn meson-exchange potentials of the nucleon-nucleon force. The nuclear forces of the former two treatments are those of the standard scalar-vector-isovector model of quantum hadron dynamics, with parameters adjusted to the nuclear matter data. An important aspect of this work consists in testing the compatibility of different competing models of the nuclear equation of state with data on pulsar periods. By this the fundamental problem of nuclear physics concerning the behavior of the equation of state at supernuclear densities can be treated.

  18. Some problems in relativistic thermodynamics

    International Nuclear Information System (INIS)

    Veitsman, E. V.

    2007-01-01

    The relativistic equations of state for ideal and real gases, as well as for various interface regions, have been derived. These dependences help to eliminate some controversies in the relativistic thermodynamics based on the special theory of relativity. It is shown, in particular, that the temperature of system whose velocity tends to the velocity of light in vacuum varies in accordance with the Ott law T = T 0 /√1 - v 2 /c 2 . Relativistic dependences for heat and mass transfer, for Ohm's law, and for a viscous flow of a liquid have also been derived

  19. The electronic states of 1,2,4-triazoles: A study of 1H- and1-methyl-1,2,4-triazole by vacuum ultraviolet photoabsorption and ultraviolet photoelectron spectroscopy and a comparison with ab initio configuration interaction computations

    DEFF Research Database (Denmark)

    Palmer, Michael H.; Camp, Philip J.; Hoffmann, Søren Vrønning

    2012-01-01

    The first vacuum ultraviolet absorption spectrum of a 1,2,4-triazole has been obtained and analyzed in detail, with assistance from both an enhanced UV photoelectron spectroscopic study and ab initio multi-reference multi-root configuration interaction procedures. For both 1H- and 1-methyl-1,2...

  20. GRASP92: a package for large-scale relativistic atomic structure calculations

    Science.gov (United States)

    Parpia, F. A.; Froese Fischer, C.; Grant, I. P.

    2006-12-01

    of CSFs sharing the same quantum numbers is determined using the configuration-interaction (CI) procedure that results upon varying the expansion coefficients to determine the extremum of a variational functional. Radial functions may be determined by numerically solving the multiconfiguration Dirac-Fock (MCDF) equations that result upon varying the orbital radial functions or some subset thereof so as to obtain an extremum of the variational functional. Radial wavefunctions may also be determined using a screened hydrogenic or Thomas-Fermi model, although these schemes generally provide initial estimates for MCDF self-consistent-field (SCF) calculations. Transition properties for pairs of ASFs are computed from matrix elements of multipole operators of the electromagnetic field. All matrix elements of CSFs are evaluated using the Racah algebra. Reasons for the new version: During recent studies using the general relativistic atomic structure package (GRASP92), several errors were found, some of which might have been present already in the earlier GRASP92 version (program ABJN_v1_0, Comput. Phys. Comm. 55 (1989) 425). These errors were reported and discussed by Froese Fischer, Gaigalas, and Ralchenko in a separate publication [C. Froese Fischer, G. Gaigalas, Y. Ralchenko, Comput. Phys. Comm. 175 (2006) 738-744. [7

  1. Conductivity of a relativistic plasma

    Energy Technology Data Exchange (ETDEWEB)

    Braams, B.J.; Karney, C.F.F.

    1989-03-01

    The collision operator for a relativistic plasma is reformulated in terms of an expansion in spherical harmonics. This formulation is used to calculate the electrical conductivity. 13 refs., 1 fig., 1 tab.

  2. Relativistic description of atomic nuclei

    International Nuclear Information System (INIS)

    Krutov, V.A.

    1985-01-01

    Papers on the relativistic description of nuclei are reviewed. The Brown and Rho ''small'' bag'' model is accepted for hardrons. Meson exchange potentials of the nucleon-nucleon interaction have been considered. Then the transition from a system of two interacting nucleons has been performed to the relativistic nucleus description as a multinucleon system on the basis of OBEP (one-boson exchange potential). The proboem of OPEP (one-pion-exchange potential) inclusion to a relativistic scheme is discussed. Simplicity of calculations and attractiveness of the Walecka model for specific computations and calculations was noted. The relativistic model of nucleons interacting through ''effective'' scalar and vector boson fields was used in the Walacka model for describing neutronaand nuclear mater matters

  3. Conductivity of a relativistic plasma

    International Nuclear Information System (INIS)

    Braams, B.J.; Karney, C.F.F.

    1989-03-01

    The collision operator for a relativistic plasma is reformulated in terms of an expansion in spherical harmonics. This formulation is used to calculate the electrical conductivity. 13 refs., 1 fig., 1 tab

  4. Relativistic heavy-ion physics

    CERN Document Server

    Herrera Corral, G

    2010-01-01

    The study of relativistic heavy-ion collisions is an important part of the LHC research programme at CERN. This emerging field of research focuses on the study of matter under extreme conditions of temperature, density, and pressure. Here we present an introduction to the general aspects of relativistic heavy-ion physics. Afterwards we give an overview of the accelerator facility at CERN and then a quick look at the ALICE project as a dedicated experiment for heavy-ion collisions.

  5. Intersystem-crossing and phosphorescence rates in fac-Ir{sup III}(ppy){sub 3}: A theoretical study involving multi-reference configuration interaction wavefunctions

    Energy Technology Data Exchange (ETDEWEB)

    Kleinschmidt, Martin; Marian, Christel M., E-mail: Christel.Marian@hhu.de [Institute of Theoretical and Computational Chemistry, Heinrich-Heine-University Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf (Germany); Wüllen, Christoph van [Fachbereich Chemie and Forschungszentrum OPTIMAS, Technical University of Kaiserslautern, Erwin-Schrödinger-Straße 52, 67663 Kaiserslautern (Germany)

    2015-03-07

    We have employed combined density functional theory and multi-reference configuration interaction methods including spin–orbit coupling (SOC) effects to investigate the photophysics of the green phosphorescent emitter fac-tris-(2-phenylpyridine)iridium (fac-Ir(ppy){sub 3}). A critical evaluation of our quantum chemical approaches shows that a perturbational treatment of SOC is the method of choice for computing the UV/Vis spectrum of this heavy transition metal complex while multi-reference spin–orbit configuration interaction is preferable for calculating the phosphorescence rates. The particular choice of the spin–orbit interaction operator is found to be of minor importance. Intersystem crossing (ISC) rates have been determined by Fourier transformation of the time correlation function of the transition including Dushinsky rotations. In the electronic ground state, fac-Ir(ppy){sub 3} is C{sub 3} symmetric. The calculated UV/Vis spectrum is in excellent agreement with experiment. The effect of SOC is particularly pronounced for the metal-to-ligand charge transfer (MLCT) band in the visible region of the absorption spectrum which does not only extend its spectral onset towards longer wavelengths but also experiences a blue shift of its maximum. Pseudo-Jahn-Teller interaction leads to asymmetric coordinate displacements in the lowest MLCT states. Substantial electronic SOC and a small energy gap make ISC an ultrafast process in fac-Ir(ppy){sub 3}. For the S{sub 1}↝T{sub 1} non-radiative transition, we compute a rate constant of k{sub ISC} = 6.9 × 10{sup 12} s{sup −1} which exceeds the rate constant of radiative decay to the electronic ground state by more than six orders of magnitude, in agreement with the experimental observation of a subpicosecond ISC process and a triplet quantum yield close to unity. As a consequence of the geometric distortion in the T{sub 1} state, the T{sub 1} → S{sub 0} transition densities are localized on one of the

  6. An introduction to relativistic hydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Font, Jose A [Departamento de AstronomIa y AstrofIsica, Universidad de Valencia, Dr. Moliner 50, 46100 Burjassot (Valencia) (Spain)

    2007-11-15

    We review formulations of the equations of (inviscid) general relativistic hydrodynamics and (ideal) magnetohydrodynamics, along with methods for their numerical solution. Both systems can be cast as first-order, hyperbolic systems of conservation laws, following the explicit choice of an Eulerian observer and suitable fluid and magnetic field variables. During the last fifteen years, the so-called (upwind) high-resolution shock-capturing schemes based on Riemann solvers have been successfully extended from classical to relativistic fluid dynamics, both special and general. Nowadays, general relativistic hydrodynamical simulations in relativistic astrophysics are routinely performed, particularly within the test-fluid approximation but also for dynamical spacetimes. While such advances also hold true in the case of the MHD equations, the astrophysical applications investigated so far are still limited, yet the field is bound to witness major developments in the near future. The article also presents a brief overview of numerical techniques, providing state-of-the-art examples of their applicability to general relativistic fluids and magneto-fluids in characteristic scenarios of relativistic astrophysics.

  7. Radiation dominated relativistic current sheets

    International Nuclear Information System (INIS)

    Jaroschek, C.H.

    2008-01-01

    Relativistic Current Sheets (RCS) feature plasma instabilities considered as potential key to magnetic energy dissipation and non-thermal particle generation in Poynting flux dominated plasma flows. We show in a series of kinetic plasma simulations that the physical nature of non-linear RCS evolution changes in the presence of incoherent radiation losses: In the ultra-relativistic regime (i.e. magnetization parameter sigma = 104 defined as the ratio of magnetic to plasma rest frame energy density) the combination of non-linear RCS dynamics and synchrotron emission introduces a temperature anisotropy triggering the growth of the Relativistic Tearing Mode (RTM). As direct consequence the RTM prevails over the Relativistic Drift Kink (RDK) Mode as competitive RCS instability. This is in contrast to the previously studied situation of weakly relativistic RCS (sigma ∼ 1) where the RDK is dominant and most of the plasma is thermalized. The simulations witness the typical life cycle of ultra-relativistic RCS evolving from a violent radiation induced collapse towards a radiation quiescent state in rather classical Sweet-Parker topology. Such a transition towards Sweet-Parker configuration in the late non-linear evolution has immediate consequences for the efficiency of magnetic energy dissipation and non-thermal particle generation. Ceasing dissipation rates directly affect our present understanding of non-linear RCS evolution in conventional striped wind scenarios. (author)

  8. Relativistic effects in bonding and dipole moments for the diatomic hydrides of the sixth-row heavy elements

    International Nuclear Information System (INIS)

    Ramos, A.F.; Pyper, N.C.; Malli, G.L.

    1988-01-01

    Ab initio Dirac-Fock (DF) and nonrelativistic-limit (NRL) wave functions and dipole moments are calculated to investigate the bonding characteristics and the relativistic effects in the systems HgH + , TlH, PbH + , and BiH. The dipole moment of AuH is evaluated using the DF self-consistent field and relativistic configuration-interaction wave functions obtained by G. L. Malli and N. C. Pyper [Proc. R. Soc. London, Ser. A 407, 377 (1986)]. Contour plots of relativistic molecular orbital densities and difference density maps are presented to illustrate the arrangement of electronic charge in these systems. It is found that the 5d orbitals are involved in the bonding of HgH + , whereas they do not play a significant role in TlH and PbH + . The relativistic calculations predict HgH + , TlH, and PbH + to be bound. The nonrelativistic-limit wave functions predict HgH + and BiH to be unbound but TlH and PbH + to be bound. It is also found that the calculated dipole moments using the DF and the NRL wave functions for these heavy systems differ significantly in magnitude, and in some cases even in the sign

  9. A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions.

    Science.gov (United States)

    van Meer, R; Gritsenko, O V; Baerends, E J

    2018-03-14

    Almost all functionals that are currently used in density matrix functional theory have been created by some a priori ansatz that generates approximations to the second-order reduced density matrix (2RDM). In this paper, a more consistent approach is used: we analyze the 2RDMs (in the natural orbital basis) of rather accurate multi-reference configuration interaction expansions for several small molecules (CH 4 , NH 3 , H 2 O, FH, and N 2 ) and use the knowledge gained to generate new functionals. The analysis shows that a geminal-like structure is present in the 2RDMs, even though no geminal theory has been applied from the onset. It is also shown that the leading non-geminal dynamical correlation contributions are generated by a specific set of double excitations. The corresponding determinants give rise to non-JKL (non Coulomb/Exchange like) multipole-multipole dispersive attractive terms between geminals. Due to the proximity of the geminals, these dispersion terms are large and cannot be omitted, proving pure JKL functionals to be essentially deficient. A second correction emerges from the observation that the "normal" geminal-like exchange between geminals breaks down when one breaks multiple bonds. This problem can be fixed by doubling the exchange between bond broken geminals, effectively restoring the often physically correct high-spin configurations on the bond broken fragments. Both of these corrections have been added to the commonly used antisymmetrized product of strongly orthogonal geminals functional. The resulting non-JKL functional Extended Löwdin-Shull Dynamical-Multibond is capable of reproducing complete active space self-consistent field curves, in which one active orbital is used for each valence electron.

  10. A non-JKL density matrix functional for intergeminal correlation between closed-shell geminals from analysis of natural orbital configuration interaction expansions

    Science.gov (United States)

    van Meer, R.; Gritsenko, O. V.; Baerends, E. J.

    2018-03-01

    Almost all functionals that are currently used in density matrix functional theory have been created by some a priori ansatz that generates approximations to the second-order reduced density matrix (2RDM). In this paper, a more consistent approach is used: we analyze the 2RDMs (in the natural orbital basis) of rather accurate multi-reference configuration interaction expansions for several small molecules (CH4, NH3, H2O, FH, and N2) and use the knowledge gained to generate new functionals. The analysis shows that a geminal-like structure is present in the 2RDMs, even though no geminal theory has been applied from the onset. It is also shown that the leading non-geminal dynamical correlation contributions are generated by a specific set of double excitations. The corresponding determinants give rise to non-JKL (non Coulomb/Exchange like) multipole-multipole dispersive attractive terms between geminals. Due to the proximity of the geminals, these dispersion terms are large and cannot be omitted, proving pure JKL functionals to be essentially deficient. A second correction emerges from the observation that the "normal" geminal-like exchange between geminals breaks down when one breaks multiple bonds. This problem can be fixed by doubling the exchange between bond broken geminals, effectively restoring the often physically correct high-spin configurations on the bond broken fragments. Both of these corrections have been added to the commonly used antisymmetrized product of strongly orthogonal geminals functional. The resulting non-JKL functional Extended Löwdin-Shull Dynamical-Multibond is capable of reproducing complete active space self-consistent field curves, in which one active orbital is used for each valence electron.

  11. Relativistic theory of gravitation

    International Nuclear Information System (INIS)

    Logunov, A.A.; Mestvirishvili, M.A.

    1986-01-01

    In the present paper a relativistic theory of gravitation (RTG) is unambiguously constructed on the basis of the special relativity and geometrization principle. In this a gravitational field is treated as the Faraday--Maxwell spin-2 and spin-0 physical field possessing energy and momentum. The source of a gravitational field is the total conserved energy-momentum tensor of matter and of a gravitational field in Minkowski space. In the RTG the conservation laws are strictly fulfilled for the energy-moment and for the angular momentum of matter and a gravitational field. The theory explains the whole available set of experiments on gravity. By virtue of the geometrization principle, the Riemannian space in our theory is of field origin, since it appears as an effective force space due to the action of a gravitational field on matter. The RTG leads to an exceptionally strong prediction: The universe is not closed but just ''flat.'' This suggests that in the universe a ''missing mass'' should exist in a form of matter

  12. Relativistic theory of gravitation

    International Nuclear Information System (INIS)

    Logunov, A.A.; Mestvirishvilli, M.A.

    1985-01-01

    In the present paper a relativistic theory of gravitation (RTG) is constructed in a unique way on the basis of the special relativity and geometrization principle. In this, a gravitational field is treated as the Faraday-Maxwell spin-2 and spin-0 physical field possessing energy and momentum. The source of a gravitational field is the total conserved energy-momentum tensor of matter and of a gravitational field in Minkowski space. In the RTG, the conservation laws are strictly fulfilled for the energy-momentum and for the angular momentum of matter and a gravitational field. The theory explains the whole available set of experiments on gravitation. In virtue of the geometrization principle, the Riemannian space in our theory is of field origin, since it appears as an effective force space due to the action of a gravitational field on matter. The RTg leads to an exceptionally strong prediction: The Universe is not closed but just ''flat''. This suggests that in the Universe a ''hidden mass'' should exist in some form of matter

  13. Relativistic gravitation theory

    International Nuclear Information System (INIS)

    Logunov, A.A.; Mestvirishvili, M.A.

    1984-01-01

    On the basis of the special relativity and geometrization principle a relativistic gravitation theory (RGT) is unambiguously constructed with the help of a notion of a gravitational field as a physical field in Faraday-Maxwell spirit, which posesses energy momentum and spins 2 and 0. The source of gravitation field is a total conserved energy-momentum tensor for matter and for gravitation field in Minkowski space. In the RGT conservation laws for the energy momentum and angular momentum of matter and gravitational field hold rigorously. The theory explains the whole set of gravitation experiments. Here, due to the geometrization principle the Riemannian space is of a field origin since this space arises effectively as a result of the gravitation field origin since this space arises effectively as a result of the gravitation field action on the matter. The RGT astonishing prediction is that the Universe is not closed but ''flat''. It means that in the Universe there should exist a ''missing'' mass in some form of matter

  14. Relativistic positioning systems: perspectives and prospects

    Science.gov (United States)

    Coll Bartolomé

    2013-11-01

    Relativistic positioning systems are interesting technical objects for applications around the Earth and in the Solar system. But above all else, they are basic scientific objects allowing developing relativity from its own concepts. Some past and future features of relativistic positioning sys- tems, with special attention to the developments that they suggest for an epistemic relativity (relativistic experimental approach to physics), are analyzed. This includes relativistic stereometry, which, together with relativistic positioning systems, allows to introduce the general relativistic notion of (finite) laboratory (space-time region able to perform experiments of finite size).

  15. Relativistic theory of gravity

    International Nuclear Information System (INIS)

    Logunov, A.A.; Mestvirishvili, M.A.

    1985-01-01

    This work presents an unambiguous construction of the relativistic theory of gravity (RTG) in the framework of relativity and the geometrization principle. The gauge principle has been formulated, and the Lagrangian density of the gravitational field has thus been constructed. This theory explains the totality of the available experimental data on the solar system and predicts the existence of gravitational waves of the Faraday-Maxwell type. According to the RTG, the Universe is infinite and ''flat'', hence it follows that its matter density should be equal to its critical density. Therefore, an appreciable ''hidden mass'' exceeding the presently observed mass of the matter almost 40-fold should exist in the Universe in some form of the matter or other. In accordance with the RTG, a massive body having a finite density ceases to contract under gravitational forces within a finite interval of proper time. From the viewpoint of an external reference frame, the brightness of the body decreases exponentially (it is getting darker), but nothing extraordinary happens in this case because its density always remains finite and, for example, for a body with the mass of about 10 8 M 0 it is equal to 2 g/cm 3 . That is why it follows from the RTG that there could be no object whatsoever (black holes) in which gravitational collapse of matter develops to an infinite density. As has been shown, the presence of a cosmological term necessarily requires the introduction of a term with an explicit dependence on the Minkowski metrics. For the long-range gravitational forces the cosmological constant vanishes

  16. Radiatively driven relativistic spherical winds under relativistic radiative transfer

    Science.gov (United States)

    Fukue, J.

    2018-05-01

    We numerically investigate radiatively driven relativistic spherical winds from the central luminous object with mass M and luminosity L* under Newtonian gravity, special relativity, and relativistic radiative transfer. We solve both the relativistic radiative transfer equation and the relativistic hydrodynamical equations for spherically symmetric flows under the double-iteration processes, to obtain the intensity and velocity fields simultaneously. We found that the momentum-driven winds with scattering are quickly accelerated near the central object to reach the terminal speed. The results of numerical solutions are roughly fitted by a relation of \\dot{m}=0.7(Γ _*-1)\\tau _* β _* β _out^{-2.6}, where \\dot{m} is the mass-loss rate normalized by the critical one, Γ* the central luminosity normalized by the critical one, τ* the typical optical depth, β* the initial flow speed at the central core of radius R*, and βout the terminal speed normalized by the speed of light. This relation is close to the non-relativistic analytical solution, \\dot{m} = 2(Γ _*-1)\\tau _* β _* β _out^{-2}, which can be re-expressed as β _out^2/2 = (Γ _*-1)GM/c^2 R_*. That is, the present solution with small optical depth is similar to that of the radiatively driven free outflow. Furthermore, we found that the normalized luminosity (Eddington parameter) must be larger than unity for the relativistic spherical wind to blow off with intermediate or small optical depth, i.e. Γ _* ≳ \\sqrt{(1+β _out)^3/(1-β _out)}. We briefly investigate and discuss an isothermal wind.

  17. Pair Natural Orbital Restricted Open-Shell Configuration Interaction (PNO-ROCIS) Approach for Calculating X-ray Absorption Spectra of Large Chemical Systems.

    Science.gov (United States)

    Maganas, Dimitrios; DeBeer, Serena; Neese, Frank

    2018-02-08

    In this work, the efficiency of first-principles calculations of X-ray absorption spectra of large chemical systems is drastically improved. The approach is based on the previously developed restricted open-shell configuration interaction singles (ROCIS) method and its parametrized version, based on a density functional theory (DFT) ground-state determinant ROCIS/DFT. The combination of the ROCIS or DFT/ROCIS methods with the well-known machinery of the pair natural orbitals (PNOs) leads to the new PNO-ROCIS and PNO-ROCIS/DFT variants. The PNO-ROCIS method can deliver calculated metal K-, L-, and M-edge XAS spectra orders of magnitude faster than ROCIS while maintaining an accuracy with calculated spectral parameters better than 1% relative to the original ROCIS method (referred to as canonical ROCIS). The method is of a black box character, as it does not require any user adjustments, while it scales quadratically with the system size. It is shown that for large systems, the size of the virtual molecular orbital (MO) space is reduced by more than 90% with respect to the canonical ROCIS method. This allows one to compute the X-ray absorption spectra of a variety of large "real-life" chemical systems featuring hundreds of atoms using a first-principles wave-function-based approach. Examples chosen from the fields of bioinorganic and solid-state chemistry include the Co K-edge XAS spectrum of aquacobalamin [H 2 OCbl] + , the Fe L-edge XAS spectrum of deoxymyoglobin (DMb), the Ti L-edge XAS spectrum of rutile TiO 2 , and the Fe M-edge spectrum of α-Fe 2 O 3 hematite. In the largest calculations presented here, molecules with more than 700 atoms and cluster models with more than 50 metal centers were employed. In all the studied cases, very good to excellent agreement with experiment is obtained. It will be shown that the PNO-ROCIS method provides an unprecedented performance of wave-function-based methods in the field of computational X-ray spectroscopy.

  18. Gamow-Teller response in the configuration space of a density-functional-theory-rooted no-core configuration-interaction model

    Science.gov (United States)

    Konieczka, M.; Kortelainen, M.; Satuła, W.

    2018-03-01

    Background: The atomic nucleus is a unique laboratory in which to study fundamental aspects of the electroweak interaction. This includes a question concerning in medium renormalization of the axial-vector current, which still lacks satisfactory explanation. Study of spin-isospin or Gamow-Teller (GT) response may provide valuable information on both the quenching of the axial-vector coupling constant as well as on nuclear structure and nuclear astrophysics. Purpose: We have performed a seminal calculation of the GT response by using the no-core configuration-interaction approach rooted in multireference density functional theory (DFT-NCCI). The model treats properly isospin and rotational symmetries and can be applied to calculate both the nuclear spectra and transition rates in atomic nuclei, irrespectively of their mass and particle-number parity. Methods: The DFT-NCCI calculation proceeds as follows: First, one builds a configuration space by computing relevant, for a given physical problem, (multi)particle-(multi)hole Slater determinants. Next, one applies the isospin and angular-momentum projections and performs the isospin and K mixing in order to construct a model space composed of linearly dependent states of good angular momentum. Eventually, one mixes the projected states by solving the Hill-Wheeler-Griffin equation. Results: The method is applied to compute the GT strength distribution in selected N ≈Z nuclei including the p -shell 8Li and 8Be nuclei and the s d -shell well-deformed nucleus 24Mg. In order to demonstrate a flexibility of the approach we present also a calculation of the superallowed GT β decay in doubly-magic spherical 100Sn and the low-spin spectrum in 100In. Conclusions: It is demonstrated that the DFT-NCCI model is capable of capturing the GT response satisfactorily well by using a relatively small configuration space, exhausting simultaneously the GT sum rule. The model, due to its flexibility and broad range of applicability, may

  19. Scattering in relativistic particle mechanics

    International Nuclear Information System (INIS)

    De Bievre, S.

    1986-01-01

    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 the authors studied scattering in the relativistic two-body problem. He uses the results to analyze gauge invariance in Hamiltonian constraint models and the uniqueness of the symplectic structure in manifestly covariant relativistic particle mechanics. A general geometric framework that underlies approaches to relativistic particle mechanics is presented and the kinematic properties of the scattering transformation, i.e., those properties that arise solely from the invariance of the theory under the Poincare group are studied. The second part of the analysis of the relativistic two-body scattering problem is devoted to the dynamical properties of the scattering process. Using general geometric arguments, gauge invariance of the scattering transformation in the Todorov-Komar Hamiltonian constraint model is proved. Finally, quantization of the models is discussed

  20. Scale-relativistic cosmology

    International Nuclear Information System (INIS)

    Nottale, Laurent

    2003-01-01

    The principle of relativity, when it is applied to scale transformations, leads to the suggestion of a generalization of fundamental dilations laws. These new special scale-relativistic resolution transformations involve log-Lorentz factors and lead to the occurrence of a minimal and of a maximal length-scale in nature, which are invariant under dilations. The minimal length-scale, that replaces the zero from the viewpoint of its physical properties, is identified with the Planck length l P , and the maximal scale, that replaces infinity, is identified with the cosmic scale L=Λ -1/2 , where Λ is the cosmological constant.The new interpretation of the Planck scale has several implications for the structure and history of the early Universe: we consider the questions of the origin, of the status of physical laws at very early times, of the horizon/causality problem and of fluctuations at recombination epoch.The new interpretation of the cosmic scale has consequences for our knowledge of the present universe, concerning in particular Mach's principle, the large number coincidence, the problem of the vacuum energy density, the nature and the value of the cosmological constant. The value (theoretically predicted ten years ago) of the scaled cosmological constant Ω Λ =0.75+/-0.15 is now supported by several different experiments (Hubble diagram of Supernovae, Boomerang measurements, gravitational lensing by clusters of galaxies).The scale-relativity framework also allows one to suggest a solution to the missing mass problem, and to make theoretical predictions of fundamental energy scales, thanks to the interpretation of new structures in scale space: fractal/classical transitions as Compton lengths, mass-coupling relations and critical value 4π 2 of inverse couplings. Among them, we find a structure at 3.27+/-0.26x10 20 eV, which agrees closely with the observed highest energy cosmic rays at 3.2+/-0.9x10 20 eV, and another at 5.3x10 -3 eV, which corresponds to the

  1. SPECIAL RELATIVISTIC HYDRODYNAMICS WITH GRAVITATION

    Energy Technology Data Exchange (ETDEWEB)

    Hwang, Jai-chan [Department of Astronomy and Atmospheric Sciences, Kyungpook National University, Daegu (Korea, Republic of); Noh, Hyerim [Korea Astronomy and Space Science Institute, Daejon (Korea, Republic of)

    2016-12-20

    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.

  2. Methods in relativistic nuclear physics

    International Nuclear Information System (INIS)

    Danos, M.; Gillet, V.; Cauvin, M.

    1984-01-01

    This book is intended to provide the methods and tools for performing actual calculations for finite many-body systems of bound relativistic constituent particles. The aim is to cover thoroughly the methodological aspects of the relativistic many-body problem for bound states while avoiding the presentation of specific models. The many examples contained in the later part of the work are meant to give concrete illustrations of how to actually apply the methods which are given in the first part. The basic framework of the approach is the lagrangian field theory solved in the time-independent Schroedinger picture. (Auth.)

  3. Frontiers in relativistic celestial mechanics

    CERN Document Server

    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.

  4. Multiwavelength Observations of Relativistic Jets from General Relativistic Magnetohydrodynamic Simulations

    Directory of Open Access Journals (Sweden)

    Richard Anantua

    2018-03-01

    Full Text Available This work summarizes a program intended to unify three burgeoning branches of the high-energy astrophysics of relativistic jets: general relativistic magnetohydrodynamic (GRMHD simulations of ever-increasing dynamical range, the microphysical theory of particle acceleration under relativistic conditions, and multiwavelength observations resolving ever-decreasing spatiotemporal scales. The process, which involves converting simulation output into time series of images and polarization maps that can be directly compared to observations, is performed by (1 self-consistently prescribing models for emission, absorption, and particle acceleration and (2 performing time-dependent polarized radiative transfer. M87 serves as an exemplary prototype for this investigation due to its prominent and well-studied jet and the imminent prospect of learning much more from Event Horizon Telescope (EHT observations this year. Synthetic observations can be directly compared with real observations for observational signatures such as jet instabilities, collimation, relativistic beaming, and polarization. The simplest models described adopt the standard equipartition hypothesis; other models calculate emission by relating it to current density or shear. These models are intended for application to the radio jet instead of the higher frequency emission, the disk and the wind, which will be subjects of future investigations.

  5. Apparent unambiguousness of relativistic time dilation

    International Nuclear Information System (INIS)

    Strel'tsov, V.N.

    1992-01-01

    It is indicated on the definite analogy between the dependence of visible sizes of relativistic objects and period of the wave, emitted by the moving source from the observation conditions ('retradition factor'). It is noted that the definition of time for moving extended objects, led to relativistic dilation, corresponds to the definition of the relativistic (radar) length led to the 'elongation formula'. 10 refs

  6. Relativistic generalization of strong plasma turbulence

    International Nuclear Information System (INIS)

    Chian, A.C.-L.

    1982-01-01

    Two fundamental electrostatic modes of an unmagnetized plasma, namely, ion acoustic mode and Langumir mode are studied. Previous theories are generalized to include the effect of relativistic mass variations. The existence of relativistic ion acoustic solitons is demonstrated. In addition, it is shown that simple, relativistic Langumir solitons do not exist in a infinite plasma. (L.C.) [pt

  7. Quantum gates via relativistic remote control

    Energy Technology Data Exchange (ETDEWEB)

    Martín-Martínez, Eduardo, E-mail: emartinm@uwaterloo.ca [Institute for Quantum Computing, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada); Dept. Applied Math., University of Waterloo, Ontario, N2L 3G1 (Canada); Perimeter Institute for Theoretical Physics, Waterloo, Ontario N2L 2Y5 (Canada); Sutherland, Chris [Institute for Quantum Computing, University of Waterloo, Waterloo, Ontario, N2L 3G1 (Canada)

    2014-12-12

    We harness relativistic effects to gain quantum control on a stationary qubit in an optical cavity by controlling the non-inertial motion of a different probe atom. Furthermore, we show that by considering relativistic trajectories of the probe, we enhance the efficiency of the quantum control. We explore the possible use of these relativistic techniques to build 1-qubit quantum gates.

  8. Electron correlation within the relativistic no-pair approximation

    DEFF Research Database (Denmark)

    Almoukhalalati, Adel; Knecht, Stefan; Jensen, Hans Jørgen Aa

    2016-01-01

    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....... The well-known 1/Z- expansion in nonrelativistic atomic theory follows from coordinate scaling. We point out that coordinate scaling for consistency should be accompanied by velocity scaling. In the nonrelativistic domain this comes about automatically, whereas in the relativistic domain an explicit...... scaling of the speed of light is required. This in turn explains why the relativistic correlation energy to the lowest order is not independent of nuclear charge, in contrast to nonrelativistic theory....

  9. Instability in relativistic nuclear matter

    International Nuclear Information System (INIS)

    Tezuka, Hirokazu.

    1979-11-01

    The stability of the Fermi gas state in the nuclear matter which satisfies the saturation property is considered relativistically. It is shown that the Fermi gas state is stable at very low density and at high density, but it is unstable for density fluctuation in the intermediate density region including the normal density. (author)

  10. Cyberinfrastructure for Computational Relativistic Astrophysics

    OpenAIRE

    Ott, Christian

    2012-01-01

    Poster presented at the NSF Office of Cyberinfrastructure CyberBridges CAREER PI workshop. This poster discusses the computational challenges involved in the modeling of complex relativistic astrophysical systems. The Einstein Toolkit is introduced. It is an open-source community infrastructure for numerical relativity and computational astrophysics.

  11. Future relativistic heavy ion experiments

    International Nuclear Information System (INIS)

    Pugh, H.G.

    1980-12-01

    Equations of state for nuclear matter and ongoing experimental studies are discussed. Relativistic heavy ion physics is the only opportunity to study in the laboratory the properties of extended multiquark systems under conditions such that quarks might run together into new arrangements previously unobserved. Several lines of further study are mentioned

  12. A relativistic radiation transfer benchmark

    International Nuclear Information System (INIS)

    Munier, A.

    1988-01-01

    We use the integral form of the radiation transfer equation in an one dimensional slab to determine the time-dependent propagation of the radiation energy, flux and pressure in a collisionless homogeneous medium. First order v/c relativistic terms are included and the solution is given in the fluid frame and the laboratory frame

  13. Relativistic models of nuclear structure

    International Nuclear Information System (INIS)

    Gillet, V.; Kim, E.J.; Cauvin, M.; Kohmura, T.; Ohnaka, S.

    1991-01-01

    The introduction of the relativistic field formalism for the description of nuclear structure has improved our understanding of fundamental nuclear mechanisms such as saturation or many body forces. We discuss some of these progresses, both in the semi-classical mean field approximation and in a quantized meson field approach. (author)

  14. Fundamental length and relativistic length

    International Nuclear Information System (INIS)

    Strel'tsov, V.N.

    1988-01-01

    It si noted that the introduction of fundamental length contradicts the conventional representations concerning the contraction of the longitudinal size of fast-moving objects. The use of the concept of relativistic length and the following ''elongation formula'' permits one to solve this problem

  15. Relativistic Descriptions of Few-Body Systems

    International Nuclear Information System (INIS)

    Karmanov, V. A.

    2011-01-01

    A brief review of relativistic effects in few-body systems, of theoretical approaches, recent developments and applications is given. Manifestations of relativistic effects in the binding energies, in the electromagnetic form factors and in three-body observables are demonstrated. The three-body forces of relativistic origin are also discussed. We conclude that relativistic effects in nuclei can be important in spite of small binding energy. At high momenta they clearly manifest themselves and are necessary to describe the deuteron e.m. form factors. At the same time, there is still a discrepancy in three-body observables which might be a result of less clarity in understanding the corresponding relativistic effects, the relativistic NN kernel and the three-body forces. Relativistic few-body physics remains to be a field of very intensive and fruitful researches. (author)

  16. Recent development of relativistic molecular theory

    International Nuclear Information System (INIS)

    Takahito, Nakajima; Kimihiko, Hirao

    2005-01-01

    Today it is common knowledge that relativistic effects are important in the heavy-element chemistry. The continuing development of the relativistic molecular theory is opening up rows of the periodic table that are impossible to treat with the non-relativistic approach. The most straightforward way to treat relativistic effects on heavy-element systems is to use the four-component Dirac-Hartree-Fock approach and its electron-correlation methods based on the Dirac-Coulomb(-Breit) Hamiltonian. The Dirac-Hartree-Fock (DHF) or Dirac-Kohn-Sham (DKS) equation with the four-component spinors composed of the large- and small-components demands severe computational efforts to solve, and its applications to molecules including heavy elements have been limited to small- to medium-size systems. Recently, we have developed a very efficient algorithm for the four-component DHF and DKS approaches. As an alternative approach, several quasi-relativistic approximations have also been proposed instead of explicitly solving the four-component relativistic equation. We have developed the relativistic elimination of small components (RESC) and higher-order Douglas-Kroll (DK) Hamiltonians within the framework of the two-component quasi-relativistic approach. The developing four-component relativistic and approximate quasi-relativistic methods have been implemented into a program suite named REL4D. In this article, we will introduce the efficient relativistic molecular theories to treat heavy-atomic molecular systems accurately via the four-component relativistic and the two-component quasi-relativistic approaches. We will also show several chemical applications including heavy-element systems with our relativistic molecular approaches. (author)

  17. Relativistic quantum mechanics an introduction to relativistic quantum fields

    CERN Document Server

    Maiani, Luciano

    2016-01-01

    Written by two of the world's leading experts on particle physics and the standard model - including an award-winning former Director General of CERN - this textbook provides a completely up-to-date account of relativistic quantum mechanics and quantum field theory. It describes the formal and phenomenological aspects of the standard model of particle physics, and is suitable for advanced undergraduate and graduate students studying both theoretical and experimental physics.

  18. Slowly rotating general relativistic superfluid neutron stars with relativistic entrainment

    International Nuclear Information System (INIS)

    Comer, G.L.

    2004-01-01

    Neutron stars that are cold enough should have two or more superfluids or supercondutors in their inner crusts and cores. The implication of superfluidity or superconductivity for equilibrium and dynamical neutron star states is that each individual particle species that forms a condensate must have its own, independent number density current and equation of motion that determines that current. An important consequence of the quasiparticle nature of each condensate is the so-called entrainment effect; i.e., the momentum of a condensate is a linear combination of its own current and those of the other condensates. We present here the first fully relativistic modeling of slowly rotating superfluid neutron stars with entrainment that is accurate to the second-order in the rotation rates. The stars consist of superfluid neutrons, superconducting protons, and a highly degenerate, relativistic gas of electrons. We use a relativistic σ-ω mean field model for the equation of state of the matter and the entrainment. We determine the effect of a relative rotation between the neutrons and protons on a star's total mass, shape, and Kepler, mass-shedding limit

  19. Relativistic quantum mechanics of bosons

    International Nuclear Information System (INIS)

    Ghose, P.; Home, D.; Sinha Roy, M.N.

    1993-01-01

    We show that it is possible to use the Klein-Gordon, Proca and Maxwell formulations to construct multi-component relativistic configuration space wavefunctions of spin-0 and spin-1 bosons in an external field. These wavefunctions satisfy the first-order Kemmer-Duffin equation. The crucial ingredient is the use of the future-causal normal n μ (n μ n μ =1, n 0 >0) to the space-like hypersurfaces foliating space-time, inherent in the concept of a relativistic wavefunction, to construct a conserved future-causal probability current four-vector from the second-rank energy-momentum tensor, following Holland's prescription. The existence of a Hermitian position operator, localized solutions, compatibility with the second quantized theories and the question of interpretation are discussed. (orig.)

  20. Kinetic approach to relativistic dissipation

    Science.gov (United States)

    Gabbana, A.; Mendoza, M.; Succi, S.; Tripiccione, R.

    2017-08-01

    Despite a long record of intense effort, the basic mechanisms by which dissipation emerges from the microscopic dynamics of a relativistic fluid still elude complete understanding. In particular, several details must still be finalized in the pathway from kinetic theory to hydrodynamics mainly in the derivation of the values of the transport coefficients. In this paper, we approach the problem by matching data from lattice-kinetic simulations with analytical predictions. Our numerical results provide neat evidence in favor of the Chapman-Enskog [The Mathematical Theory of Non-Uniform Gases, 3rd ed. (Cambridge University Press, Cambridge, U.K., 1970)] procedure as suggested by recent theoretical analyses along with qualitative hints at the basic reasons why the Chapman-Enskog expansion might be better suited than Grad's method [Commun. Pure Appl. Math. 2, 331 (1949), 10.1002/cpa.3160020403] to capture the emergence of dissipative effects in relativistic fluids.

  1. Relativistic electron beams above thunderclouds

    DEFF Research Database (Denmark)

    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...

  2. The relativistic electron wave equation

    International Nuclear Information System (INIS)

    Dirac, P.A.M.

    1977-08-01

    The paper was presented at the European Conference on Particle Physics held in Budapest between the 4th and 9th July of 1977. A short review is given on the birth of the relativistic electron wave equation. After Schroedinger has shown the equivalence of his wave mechanics and the matrix mechanics of Heisenberg, a general transformation theory was developed by the author. This theory required a relativistic wave equation linear in delta/delta t. As the Klein--Gordon equation available at this time did not satisfy this condition the development of a new equation became necessary. The equation which was found gave the value of the electron spin and magnetic moment automatically. (D.P.)

  3. Diffraction radiation from relativistic particles

    CERN Document Server

    Potylitsyn, Alexander Petrovich; Strikhanov, Mikhail Nikolaevich; Tishchenko, Alexey Alexandrovich

    2010-01-01

    This book deals with diffraction radiation, which implies the boundary problems of electromagnetic radiation theory. Diffraction radiation is generated when a charged particle moves in a vacuum near a target edge. Diffraction radiation of non-relativistic particles is widely used to design intense emitters in the cm wavelength range. Diffraction radiation from relativistic charged particles is important for noninvasive beam diagnostics and design of free electron lasers based on Smith-Purcell radiation which is diffraction radiation from periodic structures. Different analytical models of diffraction radiation and results of recent experimental studies are presented in this book. The book may also serve as guide to classical electrodynamics applications in beam physics and electrodynamics. It can be of great use for young researchers to develop skills and for experienced scientists to obtain new results.

  4. Volatility smile as relativistic effect

    Science.gov (United States)

    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.

  5. Double Relativistic Electron Accelerating Mirror

    Directory of Open Access Journals (Sweden)

    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.

  6. Relativistic shocks and particle acceleration

    International Nuclear Information System (INIS)

    Heavens, A.F.

    1988-01-01

    In this paper, we investigate the fluid dynamics of relativistic shock waves, and use the results to calculate the spectral index of particles accelerated by the Fermi process in such shocks. We have calculated the distributions of Fermi-accelerated particles at shocks propagating into cold proton-electron plasma and also cold electron-positron plasma. We have considered two different power spectra for the scattering waves, and find, in contrast to the non-relativistic case, that the spectral index of the accelerated particles depends on the wave power spectrum. On the assumption of thermal equilibrium both upstream and downstream, we present some useful fits for the compression ratio of shocks propagating at arbitrary speeds into gas of any temperature. (author)

  7. Diffraction radiation from relativistic particles

    International Nuclear Information System (INIS)

    Potylitsyn, Alexander Petrovich; Ryazanov, Mikhail Ivanovich; Strikhanov, Mikhail Nikolaevich; Tishchenko, Alexey Alexandrovich

    2010-01-01

    This book deals with diffraction radiation, which implies the boundary problems of electromagnetic radiation theory. Diffraction radiation is generated when a charged particle moves in a vacuum near a target edge. Diffraction radiation of non-relativistic particles is widely used to design intense emitters in the cm wavelength range. Diffraction radiation from relativistic charged particles is important for noninvasive beam diagnostics and design of free electron lasers based on Smith-Purcell radiation which is diffraction radiation from periodic structures. Different analytical models of diffraction radiation and results of recent experimental studies are presented in this book. The book may also serve as guide to classical electrodynamics applications in beam physics and electrodynamics. It can be of great use for young researchers to develop skills and for experienced scientists to obtain new results. (orig.)

  8. Nudności i wymioty

    Directory of Open Access Journals (Sweden)

    Anna Mokrowiecka

    2010-12-01

    Full Text Available Nudności są nieprzyjemnym, niebolesnym odczuciem silnej, nieodpartej potrzeby zwymiotowania, z kolei wymioty polegają na gwałtownym wydaleniu treści żołądka przez usta w wyniku silnych skurczów mięśni brzucha i klatki piersiowej. Nudności i wymioty mogą występować niezależnie od siebie, ale najczęściej są ze sobą powiązane. Nudności i wymioty powstają w odpowiedzi zarówno na bodźce fizjologiczne, jak i patologiczne. Zwykle jednak przewlekłe nudności i wymioty są objawem chorób przewodu pokarmowego lub innych narządów. Choroby przewodu pokarmowego i otrzewnej stanowią szeroką grupę chorób wywołujących nudności i wymioty, począwszy od nieżytu żołądkowo-jelitowego o ostrym infekcyjnym tle, przez zatrucie pokarmowe i nadwrażliwość pokarmową, do stanów ostrych – niedrożności jelita cienkiego lub/i grubego. Leki i toksyny, między innymi cytostatyki, są jedną z najczęstszych przyczyn nudności i wymiotów. Wśród innych przyczyn nudności i wymiotów można wymienić: choroby OUN prowadzące do zwiększenia ciśnienia śródczaszkowego, choroby endokrynologiczne i metaboliczne (mocznica, kwasica ketonowa w cukrzycy, choroby tarczycy i przytarczyc oraz choroba Addisona, zawał ściany dolnej mięśnia sercowego, nudności i wymioty pooperacyjne. Nudności i wymioty jako choroby czynnościowe zostały ujęte w III kryteriach rzymskich w punkcie „Choroby czynnościowe żołądka i dwunastnicy”. W diagnostyce różnicowej należy uwzględnić czas trwania wymiotów, czas pomiędzy posiłkiem a wystąpieniem wymiotów, a także charakter treści wymiocin i inne objawy towarzyszące. Wywiad i badanie fizykalne dostarczają zwykle wystarczających informacji do postawienia prawidłowej diagnozy i ustalenia leczenia u większości chorych cierpiących na nudności i wymioty. Niektórzy pacjenci wymagają jednak badań laboratoryjnych, obrazowych i endoskopowych przed zastosowaniem odpowiedniej

  9. Asymptotics of relativistic spin networks

    International Nuclear Information System (INIS)

    Barrett, John W; Steele, Christopher M

    2003-01-01

    The stationary phase technique is used to calculate asymptotic formulae for SO(4) relativistic spin networks. For the tetrahedral spin network this gives the square of the Ponzano-Regge asymptotic formula for the SU(2) 6j-symbol. For the 4-simplex (10j-symbol) the asymptotic formula is compared with numerical calculations of the spin network evaluation. Finally, we discuss the asymptotics of the SO(3, 1) 10j-symbol

  10. Analytic approaches to relativistic hydrodynamics

    Energy Technology Data Exchange (ETDEWEB)

    Hatta, Yoshitaka

    2016-12-15

    I summarize our recent work towards finding and utilizing analytic solutions of relativistic hydrodynamic. In the first part I discuss various exact solutions of the second-order conformal hydrodynamics. In the second part I compute flow harmonics v{sub n} analytically using the anisotropically deformed Gubser flow and discuss its dependence on n, p{sub T}, viscosity, the chemical potential and the charge.

  11. Pythagoras Theorem and Relativistic Kinematics

    Science.gov (United States)

    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.

  12. Characteristic manifolds in relativistic hypoelasticity

    Energy Technology Data Exchange (ETDEWEB)

    Giambo, S [Messina Univ. (Italy). Istituto di Matematica

    1978-10-02

    The relativistic hypoelasticity is considered and the characteristic manifolds are determined by using the Cauchy-Kovalevski theorem for the Cauchy problem with analytic initial conditions. Taking into account that the characteristic manifold represents the image of the front-wave in the space-time, it is possible to determine the velocities of propagation. Three wave-species are obtained: material waves, longitudinal waves and transverse waves.

  13. A relativistic quarkonium potential model

    International Nuclear Information System (INIS)

    Klima, B.; Maor, U.

    1984-04-01

    We review a recently developed relativistic quark-antiquark bound state equation using the expansion in intermediate states. Using a QCD motivated potential we succeeded very well to fit both the heavy systems (banti b, canti c) and the light systems (santi s, uanti u and danti d). Here we emphasize our results on heavy-light sustems and on the possible (tanti t) family. (orig.)

  14. Coordinates in relativistic Hamiltonian mechanics

    International Nuclear Information System (INIS)

    Sokolov, S.N.

    1984-01-01

    The physical (covariant and measurable) coordinates of free particles and covariant coordinates of the center of inertia are found for three main forms of relativistic dynamics. In the point form of dynamics, the covariant coordinates of two directly interacting particles are found, and the equations of motion are brought to the explicitly covariant form. These equations are generalized to the case of interaction with an external electromagnetic field

  15. Relativistic mechanics with reduced fields

    International Nuclear Information System (INIS)

    Sokolov, S.N.

    1996-01-01

    A new relativistic classical mechanics of interacting particles using a concept of a reduced field (RF) os proposed. RF is a mediator of interactions, the state of which is described by a finite number of two-argument functions. Ten of these functions correspond to the generators of the Poincare group. Equations of motion contain the retardation of interactions required by the causality principle and have form of a finite system of ordinary hereditary differential equations [ru

  16. Theory of a relativistic peniotron

    International Nuclear Information System (INIS)

    Zhurakhovskii, V.A.

    1986-01-01

    A normalized mathematical model for describing the motion of electrons in a relativistic peniotron with smoothly varying magnetostatic field, which provides a state of exact gyroresonance along the entire length of the device, is constructed. The results of computer calculations of the energetics of this device are presented and an example of an effective choice of its parameterse corresponding to high electronic efficiency of a one-velocity flow are presented

  17. Relativistic beaming and quasar statistics

    International Nuclear Information System (INIS)

    Orr, M.J.L.; Browne, I.W.A.

    1982-01-01

    The statistical predictions of a unified scheme for the radio emission from quasars are explored. This scheme attributes the observed differences between flat- and steep-spectrum quasars to projection and the effects of relativistic beaming of the emission from the nuclear components. We use a simple quasar model consisting of a compact relativistically beamed core with spectral index zero and unbeamed lobes, spectral index - 1, to predict the proportion of flat-spectrum sources in flux-limited samples selected at different frequencies. In our model this fraction depends on the core Lorentz factor, γ and we find that a value of approximately 5 gives satisfactory agreement with observation. In a similar way the model is used to construct the expected number/flux density counts for flat-spectrum quasars from the observed steep-spectrum counts. Again, good agreement with the observations is obtained if the average core Lorentz factor is about 5. Independent estimates of γ from observations of superluminal motion in quasars are of the same order of magnitude. We conclude that the statistical properties of quasars are entirely consistent with the predictions of simple relativistic-beam models. (author)

  18. Relativistic Binaries in Globular Clusters

    Directory of Open Access Journals (Sweden)

    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.

  19. "ESSAY ON CI" BY LI QINGZHAO

    Directory of Open Access Journals (Sweden)

    Anna Dashchenko

    2016-10-01

    Full Text Available The article presents the first Russian translation of "Essay on Ci" with detailed comments. It was written by the outstanding Chinese poetess Li Qingzhao and considered to be the first theoretical treatise dedicated to genre ci. The article revealed that the poetess used three strategies to make a genre demarcation: to legitimise, dichotomise and historicise. To legitimise means to justify that ci is a genre of poetry by identifying the same traits with official poetry shi (e.g. using the classical quotations and allusions. To dichotomise is to determine a core element of genre and oppose it to the other element identifying the similar genre (e.g. music separates ci from shi. To historicise is to develop or discover the unique historical past (e.g. the source of ci is in antiquity. The article also examined the strategy to invent classics: Li Qingzhao wrote the apophatic history of genre ci pointing not to the merits but weaknesses of her predecessors.

  20. Nonlinear dynamics of the relativistic standard map

    International Nuclear Information System (INIS)

    Nomura, Y.; Ichikawa, Y.H.; Horton, W.

    1991-04-01

    Heating and acceleration of charged particles by RF fields have been extensively investigated by the standard map. The question arises as to how the relativistic effects change the nonlinear dynamical behavior described by the classical standard map. The relativistic standard map is a two parameter (K, Β = ω/kc) family of dynamical systems reducing to the standard map when Β → 0. For Β ≠ 0 the relativistic mass increase suppresses the onset of stochasticity. It shown that the speed of light limits the rate of advance of the phase in the relativistic standard map and introduces KAM surfaces persisting in the high momentum region. An intricate structure of mixing in the higher order periodic orbits and chaotic orbits is analyzed using the symmetry properties of the relativistic standard map. The interchange of the stability of the periodic orbits in the relativistic standard map is also observed and is explained by the local linear stability of the orbits. 12 refs., 16 figs

  1. Relativistic bound state wave functions

    International Nuclear Information System (INIS)

    Micu, L.

    2005-01-01

    A particular method of writing the bound state wave functions in relativistic form is applied to the solutions of the Dirac equation with confining potentials in order to obtain a relativistic description of a quark antiquark bound system representing a given meson. Concerning the role of the effective constituent in the present approach we first observe that without this additional constituent we couldn't expand the bound state wave function in terms of products of free states. Indeed, we notice that if the wave function depends on the relative coordinates only, all the expansion coefficients would be infinite. Secondly we remark that the effective constituent enabled us to give a Lorentz covariant meaning to the potential energy of the bound system which is now seen as the 4th component of a 4-momentum. On the other side, by relating the effective constituent to the quantum fluctuations of the background field which generate the binding, we provided a justification for the existence of some spatial degrees of freedom accompanying the interaction potential. These ones, which are quite unusual in quantum mechanics, in our model are the natural consequence of the the independence of the quarks and can be seen as the effect of the imperfect cancellation of the vector momenta during the quantum fluctuations. Related with all these we remark that the adequate representation for the relativistic description of a bound system is the momentum representation, because of the transparent and easy way of writing the conservation laws and the transformation properties of the wave functions. The only condition to be fulfilled is to find a suitable way to take into account the potential energy of the bound system. A particular feature of the present approach is that the confining forces are due to a kind of glue where both quarks are embedded. This recalls other bound state models where the wave function is factorized in terms of constituent wave functions and the confinement is

  2. Relativistic neoclassical transport coefficients with momentum correction

    International Nuclear Information System (INIS)

    Marushchenko, I.; Azarenkov, N.A.

    2016-01-01

    The parallel momentum correction technique is generalized for relativistic approach. It is required for proper calculation of the parallel neoclassical flows and, in particular, for the bootstrap current at fusion temperatures. It is shown that the obtained system of linear algebraic equations for parallel fluxes can be solved directly without calculation of the distribution function if the relativistic mono-energetic transport coefficients are already known. The first relativistic correction terms for Braginskii matrix coefficients are calculated.

  3. Loading relativistic Maxwell distributions in particle simulations

    International Nuclear Information System (INIS)

    Zenitani, Seiji

    2015-01-01

    Numerical algorithms to load relativistic Maxwell distributions in particle-in-cell (PIC) and Monte-Carlo simulations are presented. For stationary relativistic Maxwellian, the inverse transform method and the Sobol algorithm are reviewed. To boost particles to obtain relativistic shifted-Maxwellian, two rejection methods are proposed in a physically transparent manner. Their acceptance efficiencies are ≈50% for generic cases and 100% for symmetric distributions. They can be combined with arbitrary base algorithms

  4. Loading relativistic Maxwell distributions in particle simulations

    Energy Technology Data Exchange (ETDEWEB)

    Zenitani, Seiji, E-mail: seiji.zenitani@nao.ac.jp [National Astronomical Observatory of Japan, 2-21-1 Osawa, Mitaka, Tokyo 181-8588 (Japan)

    2015-04-15

    Numerical algorithms to load relativistic Maxwell distributions in particle-in-cell (PIC) and Monte-Carlo simulations are presented. For stationary relativistic Maxwellian, the inverse transform method and the Sobol algorithm are reviewed. To boost particles to obtain relativistic shifted-Maxwellian, two rejection methods are proposed in a physically transparent manner. Their acceptance efficiencies are ≈50% for generic cases and 100% for symmetric distributions. They can be combined with arbitrary base algorithms.

  5. Relativistic fluids in spherically symmetric space

    International Nuclear Information System (INIS)

    Dipankar, R.

    1977-12-01

    Some of McVittie and Wiltshire's (1977) solutions of Walker's (1935) isotropy conditions for relativistic perfect fluid spheres are generalized. Solutions are spherically symmetric and conformally flat

  6. Relativistic ion acceleration by ultraintense laser interactions

    International Nuclear Information System (INIS)

    Nakajima, K.; Koga, J.K.; Nakagawa, K.

    2001-01-01

    There has been a great interest in relativistic particle generation by ultraintense laser interactions with matter. We propose the use of relativistically self-focused laser pulses for the acceleration of ions. Two dimensional PIC simulations are performed, which show the formation of a large positive electrostatic field near the front of a relativistically self-focused laser pulse. Several factors contribute to the acceleration including self-focusing distance, pulse depletion, and plasma density. Ultraintense laser-plasma interactions are capable of generating enormous electrostatic fields of ∼3 TV/m for acceleration of protons with relativistic energies exceeding 1 GeV

  7. RELATIVISTIC CYCLOTRON INSTABILITY IN ANISOTROPIC PLASMAS

    Energy Technology Data Exchange (ETDEWEB)

    López, Rodrigo A.; Moya, Pablo S.; Muñoz, Víctor; Valdivia, J. Alejandro [Departamento de Física, Facultad de Ciencias, Universidad de Chile, Casilla 653, Santiago (Chile); Navarro, Roberto E.; Araneda, Jaime A. [Departamento de Física, Facultad de Ciencias Físicas y Matemáticas, Universidad de Concepción, Casilla 160-C, Concepción (Chile); Viñas, Adolfo F., E-mail: rlopez186@gmail.com [NASA Goddard Space Flight Center, Heliophysics Science Division, Geospace Physics Laboratory, Mail Code 673, Greenbelt, MD 20771 (United States)

    2016-11-20

    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.

  8. ANALIZA NIEZAWODNOŚCI STACJI UZDATNIANIA WODY

    Directory of Open Access Journals (Sweden)

    Barbara TCHÓRZEWSKA-CIEŚLAK

    Full Text Available Systemy zbiorowego zaopatrzenia w wodę składają się z połączonych ze sobą elementów (podsystemów stanowiących integralna całość, współpracujących ze sobą w sposób ciągły w celu zapewnienia dla konsumentów wody o odpowiedniej jakości. W przypadku gdy jakość wody w źródle nie odpowiada normatywom stawianym wodzie przeznaczonej do spożycia przez ludzi, woda musi być poddana procesom uzdatniania. Niezawodność funkcjonowania stacji uzdatniania wody jest jednym z podstawowych elementów szeroko rozumianej analizy niezawodności i bezpieczeństwa całego systemu zbiorowego zaopatrzenia w wodę. Niezawodność dostawy wody polega na zapewnieniu stabilnych warunków, umożliwiających pokrycie bieżącego i perspektywicznego zapotrzebowania na wodę w odpowiedniej ilości i wymaganej jakości w dowolnym, dogodnym dla konsumentów wody czasie. W pracy przedstawiono podstawy analizy niezawodności, podano podstawowe miary oraz zasady wykorzystania struktur niezawodnościowych. Obliczenia wykonano dla stacji uzdatniania wody na podstawie schematu niezwodnościowego metodą jednoparametryczną. Na podstawie danych z eksploatacyjnych stacji uzdatniania wody (SUW wchodzącej w skład systemu zbiorowego zaopatrzenia w wodę miasta liczącego ok 80 tys. mieszkańców sporządzono schemat niewodności stacji oraz przeprowadzono obliczenia wskaźnika gotowości K. W metodzie wykorzystano podstawowe struktury niezawodnościowe. Wyznaczoną miarę niezawodności porównano z wartościami kryterialnymi.

  9. Language Practices in the Ci-Classroom

    DEFF Research Database (Denmark)

    Mourtou, Eleni

    2014-01-01

    Prelingually deafened children are nowadays likely to receive a cochlear implant (ci). As these children do their language acquisition with a cochlear implant they require a constant rehabilitation and support. Educational staff is instructed on how to work with children with ci in form...... of guidelines and workshops. This paper discusses language practices used in the setting of a school for cochlear-implanted children. These children encounter language and pronunciation problems that accompany prelingual deafness and hearing with a cochlear implant. I examine two practices, which are used...

  10. Relativistic many-body theory of atomic transitions: the relativistic equation-of-motion approach

    International Nuclear Information System (INIS)

    Huang, K.N.

    1981-01-01

    An equation-of-motion approach is used to develop the relativistic many-body theory of atomic transitions. The relativistic equations of motion for transition matrices are formulated using techniques of quantum field theory. To reduce the equation of motion to a tractable form which is appropriate for numerical calculations, a graphical method is employed to resolve the complication arising from the antisymmetrization and angular momentum coupling. The relativistic equation-of-motion method allows an ab initio treatment of correlation and relativistic effects in both closed- and open-shell many-body systems. A special case of the present formulation reduces to the relativistic random-phase approximation

  11. Thermodynamics of polarized relativistic matter

    Energy Technology Data Exchange (ETDEWEB)

    Kovtun, Pavel [Department of Physics and Astronomy, University of Victoria,PO Box 1700 STN CSC, Victoria BC, V8W 2Y2 (Canada)

    2016-07-05

    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.

  12. Observation of relativistic antihydrogen atoms

    International Nuclear Information System (INIS)

    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 0 production is outlined within. The cross section corresponds to the process where a high momentum antiproton causes e + e - 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

  13. Similarity flows in relativistic hydrodynamics

    International Nuclear Information System (INIS)

    Blaizot, J.P.; Ollitrault, J.Y.

    1986-01-01

    In ultra-relativistic heavy ion collisions, one expects in particular to observe a deconfinement transition leading to a formation of quark gluon plasma. In the framework of the hydrodynamic model, experimental signatures of such a plasma may be looked for as observable consequences of a first order transition on the evolution of the system. In most of the possible scenario, the phase transition is accompanied with discontinuities in the hydrodynamic flow, such as shock waves. The method presented in this paper has been developed to treat without too much numerical effort such discontinuous flow. It relies heavily on the use of similarity solutions of the hydrodynamic equations

  14. Relativistic heavy ion facilities: worldwide

    International Nuclear Information System (INIS)

    Schroeder, L.S.

    1986-05-01

    A review of relativistic heavy ion facilities which exist, are in a construction phase, or are on the drawing boards as proposals is presented. These facilities span the energy range from fixed target machines in the 1 to 2 GeV/nucleon regime, up to heavy ion colliders of 100 GeV/nucleon on 100 GeV/nucleon. In addition to specifying the general features of such machines, an outline of the central physics themes to be carried out at these facilities is given, along with a sampling of the detectors which will be used to extract the physics. 22 refs., 17 figs., 3 tabs

  15. Unlimited Relativistic Shock Surfing Acceleration

    International Nuclear Information System (INIS)

    Ucer, D.; Shapiro, V. D.

    2001-01-01

    Nonrelativistic shock surfing acceleration at quasiperpendicular shocks is usually considered to be a preacceleration mechanism for slow pickup ions to initiate diffusive shock acceleration. In shock surfing, the particle accelerates along the shock front under the action of the convective electric field of the plasma flow. However, the particle also gains kinetic energy normal to the shock and eventually escapes downstream. We consider the case when ions are accelerated to relativistic velocities. In this case, the ions are likely to be trapped for infinitely long times, because the energy of bounce oscillations tends to decrease during acceleration. This suggests the possibility of unlimited acceleration by shock surfing

  16. The magnetosphere in relativistic physics

    International Nuclear Information System (INIS)

    Zapffe, C.A.

    1982-01-01

    The present paper takes off from the author's earlier epistemological analysis and criticism of the Special Theory of Relativity, identifies the problem as lying in Einstein's choice of the inertial frame of Newtonian mechanics rather than the electromagnetic frame of the locally embedding Maxwellian field when discussing electrodynamics, then proposes this Maxwellian field of the magnetosphere as the specific rest frame proper to all experimentation of optical or electromagnetic sort conducted within its bounds. The result is shown to remove all paradoxes from relativistic physics. (author)

  17. Relativistic Quantum Transport in Graphene Systems

    Science.gov (United States)

    2015-07-09

    dimensional Dirac material systems. 2 List of Publications 1. X. Ni, L. Huang, Y.-C. Lai, and L. M. Pecora, “Effect of chaos on relativistic quantum...development of relativistic quantum devices based on graphene or alternative two-dimensional Dirac material systems. In the project period, we studied

  18. Relativistic calculations of coalescing binary neutron stars

    Indian Academy of Sciences (India)

    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 ...

  19. Relativistic corrections to molecular dynamic dipole polarizabilities

    DEFF Research Database (Denmark)

    Kirpekar, Sheela; Oddershede, Jens; Jensen, Hans Jørgen Aagaard

    1995-01-01

    obtained from the use of the Darwin and mass-velocity operators to first order are included at both levels of approximation. We find that correlation and relativistic contributions are not even approximately additive for the two molecules. The importance of the relativistic corrections is smallest...

  20. A Primer to Relativistic MOND Theory

    NARCIS (Netherlands)

    Bekenstein, J.D..; Sanders, R.H.

    2005-01-01

    Abstract: We first review the nonrelativistic lagrangian theory as a framework for the MOND equation. Obstructions to a relativistic version of it are discussed leading up to TeVeS, a relativistic tensor-vector-scalar field theory which displays both MOND and Newtonian limits. The whys for its

  1. Relativistic astrophysics and theory of gravity

    International Nuclear Information System (INIS)

    Zel'dovich, Ya.B.

    1982-01-01

    A brief historical review of the development of astrophysical science in the State Astrophysical Institute named after Shternberg (SAISh) has been given in a popular form. The main directions of the SAISh astrophysical investigations have been presented: relativistic theory of gravity, relativistic astrophysics of interplanetary medium and cosmology

  2. Einstein Never Approved of Relativistic Mass

    Science.gov (United States)

    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…

  3. Random phase approximation in relativistic approach

    International Nuclear Information System (INIS)

    Ma Zhongyu; Yang Ding; Tian Yuan; Cao Ligang

    2009-01-01

    Some special issues of the random phase approximation(RPA) in the relativistic approach are reviewed. A full consistency and proper treatment of coupling to the continuum are responsible for the successful application of the RPA in the description of dynamical properties of finite nuclei. The fully consistent relativistic RPA(RRPA) requires that the relativistic mean filed (RMF) wave function of the nucleus and the RRPA correlations are calculated in a same effective Lagrangian and the consistent treatment of the Dirac sea of negative energy states. The proper treatment of the single particle continuum with scattering asymptotic conditions in the RMF and RRPA is discussed. The full continuum spectrum can be described by the single particle Green's function and the relativistic continuum RPA is established. A separable form of the paring force is introduced in the relativistic quasi-particle RPA. (authors)

  4. Loading relativistic Maxwell distributions in particle simulations

    Science.gov (United States)

    Zenitani, S.

    2015-12-01

    In order to study energetic plasma phenomena by using particle-in-cell (PIC) and Monte-Carlo simulations, we need to deal with relativistic velocity distributions in these simulations. However, numerical algorithms to deal with relativistic distributions are not well known. In this contribution, we overview basic algorithms to load relativistic Maxwell distributions in PIC and Monte-Carlo simulations. For stationary relativistic Maxwellian, the inverse transform method and the Sobol algorithm are reviewed. To boost particles to obtain relativistic shifted-Maxwellian, two rejection methods are newly proposed in a physically transparent manner. Their acceptance efficiencies are 􏰅50% for generic cases and 100% for symmetric distributions. They can be combined with arbitrary base algorithms.

  5. Relativistic theory of spontaneous emission

    International Nuclear Information System (INIS)

    Barut, A.O.; Salamin, Y.I.

    1987-06-01

    We derive a formula for the relativistic decay rates in atoms in a formulation of Quantum Electrodynamics based upon the electron's self energy. Relativistic Coulomb wavefunctions are used, the full spin calculation is carried out and the dipole approximation is not employed. The formula has the correct nonrelativistic limit and is used here for calculating the decay rates in Hydrogen and Muonium for the transitions 2P → 1S 1/2 and 2S 1/2 → 1S 1/2 . The results for Hydrogen are: Γ(2P → 1S 1/2 )=6.2649x10 8 s -1 and Γ(2S 1/2 → 1S 1/2 )=2.4946x10 -6 s -1 . Our result for the 2P → 1S 1/2 transition rate is in perfect agreement with the best nonrelativistic calculations as well as with the results obtained from the best known radiative decay lifetime measurements. As for the Hydrogen 2S 1/2 → 1S 1/2 decay rate, the result obtained here is also in good agreement with the best known magnetic dipole calculations. For Muonium we get: Γ(2P → 1S 1/2 )=6.2382x10 8 s -1 and Γ(2S 1/2 → 1S 1/2 )=2.3997x10 -6 s -1 . (author). 23 refs, 4 tabs

  6. Physical processes in relativistic plasmas

    International Nuclear Information System (INIS)

    Svensson, R.

    1984-01-01

    The continuum emission in many active galactic nuclei (AGNs) extend to 100 keV and beyond (e.g. Rothschild et al. 1983). In thermal models of the continuum emission this implies temperatures above 10 9 K or kT of order mc 2 . In such a plasma the electrons are at least mildly relativistic and furthermore the particles and the photons are energetic enough to produce electron-positron pairs. The physics of such hot plasmas has only recently been studied in any detail and here we review the results of those studies. Significant electron-positron pair production may also occur in non-thermal models of the continuum emission if the optical depth to photon-photon pair production is greater than unity. We review the few results obtained regarding this interesting but not very well studied possibility. First, however, we briefly discuss the processes taking place in relativistic plasmas and the standard models for the continuum emission from AGNs. We then summarize the effects pair production have on these models and the observational implications of the presence of electron-positron pairs. (orig./WL)

  7. 24-Hour Relativistic Bit Commitment.

    Science.gov (United States)

    Verbanis, Ephanielle; Martin, Anthony; Houlmann, Raphaël; Boso, Gianluca; Bussières, Félix; Zbinden, Hugo

    2016-09-30

    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.

  8.  Spis treści

    Directory of Open Access Journals (Sweden)

    Mieczysław Dobija

    2014-04-01

    Full Text Available  Od Zespołu Redakcyjnego ............................................................................... 5 Mieczysław Dobija – Rachunkowość w systemie pomiaru aktywności ekonomicznej państwa – Accounting as part of an economic activity measurement system ............... 7 Renata Dyląg, Ewelina Puchalska – Raportowanie zagadnień środowiskowych i społecznych – Reporting on social and environmental issues .............................................. 23 Jacek Gad – Sprawozdanie z wyniku całościowego jako źródło informacji na temat kapitałowych przychodów i kosztów – doświadczenia polskiego i niemieckiego rynku kapitałowego – Statement of comprehensive income as a source of information on capital income and expenses – experience of Polish and German capital markets...... 47 Piotr Luty – Ocena kondycji finansowej łączących się spółek na przykładzie jednostek z wybranych województw Polski Zachodniej – Assessment of financial position of merging companies based on selected provinces of Western Poland ............................................................................ 69 Irena Sobańska – Znaczenie dorobku naukowego Profesor Elżbiety Burzym dla rozwoju nauki i praktyki rachunkowości w Polsce – The importance of Professor Elżbieta Burzym’s contribution to the development of accounting theory, research and practice in Poland ........................ 83 Arleta Szadziewska – Rachunkowość jako źródło informacji na temat realizacji strategii społecznej odpowiedzialności biznesu – Accounting as a source of information for CSR strategy ............................. 95 Halina Waniak-Michalak – Informacja o pracy wolontariuszy w sprawozdaniach organizacji pożytku publicznego w Polsce – Information on volunteer labour in reports of public benefit organizations in Poland ............................................................................................................ 125

  9. Cognitivismo e ciência cognitiva

    Directory of Open Access Journals (Sweden)

    Marcos Barbosa de Oliveira

    1990-01-01

    Full Text Available O objetivo da comunicação é caracterizar uma escola de pensamento-o cognitivismo-e a disciplina a que ela deu origem. Depois de um breve apanhado das origens do cognitivismo descrevem-se os princípios ontológicos e metodológicos que o definem. Mostra-se a seguir a relação que há entre os computadores e a idéia funcionalista de considerar a mente como um sistema cujos elementos são caracterizados por suas funções, e não por sua constituição material. Discute-se finalmente a natureza e o nome da disciplina gerada pelo cognitivismo, sugerindo-se que se trata de uma proto-ciência, a qual deve ser denominada "Estudos Cognitivos" de preferência a "Ciência Cognitiva".

  10. Kierunki zmiansprawozdawczości finansowej

    Directory of Open Access Journals (Sweden)

    Zbigniew Luty

    2010-05-01

    Full Text Available W artykule wskazano na możliwe kierunki zmian w sprawozdawczości finansowej w najbliższych latach. Wymieńmy najważniejsze: 1 bazą jest informacja oparta na dokumentacji księgowej w ujęciu historycznym, 2 sprawozdania celowe (dedykowane, 3 informacja finansowa jako towar na specyficznym rynku sprawozdań, 4 prawo bilansowe tworzone z minimalnym wpływem lobbingu inwestorów.

  11. Thermodynamic laws and equipartition theorem in relativistic Brownian motion.

    Science.gov (United States)

    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.

  12. Relativistic effects in resonance absorption

    International Nuclear Information System (INIS)

    Drake, J.F.; Lee, Y.C.

    1976-01-01

    The role of the relativistic-electron-mass variation in the generation of plasma waves by the linear mode conversion of intense electromagnetic waves is investigated. The increase in the electron mass in high intensity regions of the mode-converted wave reduces the local plasma frequency and thereby strongly modifies the plasma-driver resonance. A spatial discontinuity in the structure of the mode-converted wave results and causes the wave to break. Under rather modest restrictions, the wave breaking resulting from these effects occurs before the wave amplitude is limited either by thermal convection or by breaking caused by previously investigated nonrelativistic effects. Consequently, the amplitude of the mode-converted plasma wave should saturate at a much lower level than previously predicted. For simplicity, the analysis is limited to the initial stages of mode conversion where the ion dynamics can be neglected. The validity of this approximation is discussed

  13. Parton distribution in relativistic hadrons

    International Nuclear Information System (INIS)

    Kopeliovich, B.Z.; Lapidus, L.I.; Zamolodchikov, Al.B.

    1979-01-01

    The distribution in the slow-parton number in the relativistic hadron is considered as a function of its rapidity (y). Neglecting corrections due to the tarton chain recombination the equation is derived and its explicit solution is found. It describes this distribution depending on the initial distribution at y approximately 1. Comparison with the reggeon diagrams results in relations between the parton model and the regaeon field theory parameters. The interpretation of the cutting rules in the framework of the parton model is presented. The numerical estimation of the parton model parameters is performed. It is shown that the slow-parton density corresponding to accessible energies seems to be close to the saturated density. Therefore, the enhanced graphs contributions turn out to be of considerable importance

  14. Relativistic three-particle theory

    International Nuclear Information System (INIS)

    Hochauser, S.

    1979-01-01

    In keeping with recent developments in experimental nuclear physics, a formalism is developed to treat interactions between three relativistic nuclear particles. The concept of unitarity and a simple form of analyticity are used to construct coupled, integral, Faddeev-type equations and, with the help of analytic separable potentials, these are cast in simple, one-dimensional form. Energy-dependent potentials are introduced so as to take into account the sign-change of some phase shifts in the nucleon-nucleon interaction and parameters for these potentials are obtained. With regard to the success of such local potentials as the Yukawa potential, a recently developed method for expanding these in separable form is discussed. Finally, a new method for the numerical integration of the Faddeev equations along the real axis is introduced, thus avoiding the traditional need for contour rotations into the complex plane. (author)

  15.  Spis treści

    Directory of Open Access Journals (Sweden)

    ANNA BARTOSZEWICZ

    2015-03-01

    Full Text Available  Od Zespołu Redakcyjnego – Editorial .......................................................................................................... 7 Anna Bartoszewicz – Praktyczna realizacja Programu zapewnienia i poprawy jakości w komórkach audytu wewnętrznego na wybranych przykładach – Implementation of Quality Assurance and Improvement Program by internal audit teams on selected examples ................................................................ 9 Anna Białek-Jaworska, Natalia Nehrebecka – Struktura kapitałowa przedsiębiorstw w świetle wyników badań – Capital structure of companies in the light of research results ..................... 29 Magda Chraścina – Determinanty tworzenia rezerw oraz ich skutki bilansowo- -wynikowe na przykładzie spółek notowanych na Giełdzie Papierów Wartościowych w Warszawie – Determinants of creating provisions and their effect on the balance sheet and income statement on the example of companies listed on the Warsaw Stock Exchange .................................................................................................. 53 Małgorzata Garstka – Dobry obyczaj jako norma kształtująca zachowanie księgowych – Good practice as a norm shaping the behavior of accountants ...................... 73 Przemysław Kabalski, Joanna Szwajcar – Feminizacja studiów w zakresie rachunkowości w Polsce – przyczyny i skutki – Feminization of accounting studies in Poland – causes and consequences .. 85 Anna Kasperowicz – Znaki i kody rachunkowości w procesie komunikacji – Accounting signs and codes in the communication process .......................... 107 Marcin Kędzior – Dobrowolne stosowanie MSSF przez spółki giełdowe w wybranych krajach Europy Zachodniej – Voluntary adoption of IFRS by listed companies in selected Western European countries ................................................................................................. 123 Ewelina Zarzycka

  16. Relativistic thermodynamics of Fluids. l

    International Nuclear Information System (INIS)

    Havas, P.; Swenson, R.J.

    1979-01-01

    In 1953, Stueckelberg and Wanders derived the basic laws of relativistic linear nonequilibrium thermodynamics for chemically reacting fluids from the relativistic local conservation laws for energy-momentum and the local laws of production of substances and of nonnegative entropy production by the requirement that the corresponding currents (assumed to depend linearly on the derivatives of the state variables) should not be independent. Generalizing their method, we determine the most general allowed form of the energy-momentum tensor T/sup alphabeta/ and of the corresponding rate of entropy production under the same restriction on the currents. The problem of expressing this rate in terms of thermodynamic forces and fluxes is discussed in detail; it is shown that the number of independent forces is not uniquely determined by the theory, and seven possibilities are explored. A number of possible new cross effects are found, all of which persist in the Newtonian (low-velocity) limit. The treatment of chemical reactions is incorporated into the formalism in a consistent manner, resulting in a derivation of the law for rate of production, and in relating this law to transport processes differently than suggested previously. The Newtonian limit is discussed in detail to establish the physical interpretation of the various terms of T/sup alphabeta/. In this limit, the interpretation hinges on that of the velocity field characterizing the fluid. If it is identified with the average matter velocity following from a consideration of the number densities, the usual local conservation laws of Newtonian nonequilibrium thermodynamics are obtained, including that of mass. However, a slightly different identification allows conversion of mass into energy even in this limit, and thus a macroscopic treatment of nuclear or elementary particle reactions. The relation of our results to previous work is discussed in some detail

  17. Relativistic klystron research for linear colliders

    International Nuclear Information System (INIS)

    Allen, M.A.; Callin, R.S.; Deruyter, H.; Eppley, K.R.; Fant, K.S.; Fowkes, W.R.; Herrmannsfeldt, W.B.; Hoag, H.A.; Koontz, R.F.; Lavine, T.L.; Lee, T.G.; Loew, G.A.; Miller, R.H.; Morton, P.L.; Palmer, R.B.; Paterson, J.M.; Ruth, R.D.; Schwarz, H.D.; Vlieks, A.E.; Wilson, P.B.

    1989-01-01

    Relativistic klystrons are being developed as a power source for high gradient accelerator applications which include large linear electron-positron colliders, compact accelerators, and FEL sources. The authors have attained 200 MW peak power at 11.4 GHz from a relativistic klystron, and 140 MV/m longitudinal gradient in a short 11.4 GHz accelerator section. In this paper the authors report on the design of our relativistic klystrons, the results of our experiments so far, and some of our plans for the near future

  18. Relativistic klystron research for linear colliders

    International Nuclear Information System (INIS)

    Allen, M.A.; Callin, R.S.; Deruyter, H.; Eppley, K.R.; Fant, K.S.; Fowkes, W.R.; Herrmannesfeldt, W.B.; Higo, T.; Hoag, H.A.; Koontz, R.F.; Lavine, T.L.; Lee, T.G.; Loew, G.A.; Miller, R.H.; Morton, P.L.; Palmer, R.B.; Paterson, J.M.; Ruth, R.D.; Schwarz, H.D.; Takeuchi, Y.; Vlieks, A.E.; Wang, J.W.; Wilson, P.B.; Hopkins, D.B.; Sessler, A.M.; Ryne, R.D.; Westenskow, G.A.; Yu, S.S.

    1989-01-01

    Relativistic klystrons are being developed as a power source for high gradient accelerator applications which include large linear electron-positron colliders, compact accelerators, and FEL sources. The authors have attained 200MW peak power at 11.4 GHz from a relativistic klystron, and 140 MV/m longitudinal gradient in a short 11.4 GHz accelerator section. They report here on the design of our relativistic klystrons, the results of our experiments so far, and some of our plans for the near future. 5 refs., 9 figs., 1 tab

  19. New derivation of relativistic dissipative fluid dynamics

    International Nuclear Information System (INIS)

    Jaiswal, Amaresh; Bhalerao, Rajeev S.; Pal, Subrata

    2012-01-01

    Relativistic dissipative hydrodynamics has been quite successful in explaining the spectra and azimuthal anisotropy of particles produced in heavy-ion collisions at the RHIC and recently at the LHC. The first-order dissipative fluid dynamics or the relativistic Navier-Stokes (NS) theory involves parabolic differential equations and suffers from a causality and instability. The second-order or Israel-Stewart (IS) theory with its hyperbolic equations restores causality but may not guarantee stability. The correct formulation of relativistic viscous fluid dynamics is far from settled and is under intense investigation

  20. Relativistic Theory of Few Body Systems

    Energy Technology Data Exchange (ETDEWEB)

    Franz Gross

    2002-11-01

    Very significant advances have been made in the relativistic theory of few body systems since I visited Peter Sauer and his group in Hannover in 1983. This talk provides an opportunity to review the progress in this field since then. Different methods for the relativistic calculation of few nucleon systems are briefly described. As an example, seven relativistic calculations of the deuteron elastic structure functions, A, B, and T{sub 20}, are compared. The covariant SPECTATOR {copyright} theory, among the more successful and complete of these methods, is described in more detail.

  1. Penetration of relativistic heavy ions through matter

    International Nuclear Information System (INIS)

    Scheidenberger, C.; Geissel, H.

    1997-07-01

    New heavy-ion accelerators covering the relativistic and ultra-relativistic energy regime allow to study atomic collisions with bare and few-electron projectiles. High-resolution magnetic spectrometers are used for precise stopping-power and energy-loss straggling measurements. Refined theories beyond the Born approximation have been developed and are confirmed by experiments. This paper summarizes the large progress in the understanding of relativistic heavy-ion penetration through matter, which has been achieved in the last few years. (orig.)

  2. Relativistic klystron research for linear colliders

    International Nuclear Information System (INIS)

    Allen, M.A.; Callin, R.S.; Deruyter, H.

    1988-09-01

    Relativistic klystrons are being developed as a power source for high gradient accelerator applications which include large linear electron-positron colliders, compact accelerators, and FEL sources. We have attained 200 MW peak power at 11.4 GHz from a relativistic klystron, and 140 MV/m longitudinal gradient in a short 11.4 GHz accelerator section. We report here on the design of our relativistic klystrons, the results of our experiments so far, and some of our plans for the near future. 5 refs., 9 figs., 1 tab

  3. Whispering gallery effect in relativistic optics

    Science.gov (United States)

    Abe, Y.; Law, K. F. F.; Korneev, Ph.; Fujioka, S.; Kojima, S.; Lee, S.-H.; Sakata, S.; Matsuo, K.; Oshima, A.; Morace, A.; Arikawa, Y.; Yogo, A.; Nakai, M.; Norimatsu, T.; d'Humières, E.; Santos, J. J.; Kondo, K.; Sunahara, A.; Gus'kov, S.; Tikhonchuk, V.

    2018-03-01

    relativistic laser pulse, confined in a cylindrical-like target, under specific conditions may perform multiple scattering along the internal target surface. This results in the confinement of the laser light, leading to a very efficient interaction. The demonstrated propagation of the laser pulse along the curved surface is just yet another example of the "whispering gallery" effect, although nonideal due to laser-plasma coupling. In the relativistic domain its important feature is a gradual intensity decrease, leading to changes in the interaction conditions. The proccess may pronounce itself in plenty of physical phenomena, including very efficient electron acceleration and generation of relativistic magnetized plasma structures.

  4. Holographic Aspects of a Relativistic Nonconformal Theory

    Directory of Open Access Journals (Sweden)

    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.

  5. The de Sitter relativistic top theory

    International Nuclear Information System (INIS)

    Armenta, J.; Nieto, J.A.

    2005-01-01

    We discuss the relativistic top theory from the point of view of the de Sitter (or anti-de Sitter) group. Our treatment rests on the Hanson-Regge spherical relativistic top Lagrangian formulation. We propose an alternative method for studying spinning objects via Kaluza-Klein theory. In particular, we derive the relativistic top equations of motion starting with the geodesic equation for a point particle in 4+N dimensions. We compare our approach with Fukuyama's formulation of spinning objects, which is also based on Kaluza-Klein theory. We also report a generalization of our approach to a 4+N+D dimensional theory

  6. The ionisation equation in a relativistic gas

    International Nuclear Information System (INIS)

    Kichenassamy, S.; Krikorian, R.A.

    1983-01-01

    By deriving the relativistic form of the ionisation equation for a perfect gas it is shown that the usual Saha equation is valid to 3% for temperatures below one hundred million Kelvin. Beyond 10 9 K, the regular Saha equation is seriously incorrect and a relativistic distribution function for electrons must be taken into account. Approximate forms are derived when only the electrons are relativistic (appropriate up to 10 12 K) and also for the ultrarelativistic case (temperatures greater than 10 15 K). (author)

  7. On the physics of relativistic double layers

    International Nuclear Information System (INIS)

    Carlqvist, P.

    1982-06-01

    A model of a strong, time-independent, and relativistic double layer is studied. Besides double layers having the electric field parallel to the current the model also describes a certain type of oblique double layers. The 'Langmuir condition' (ratio of ion current density to electron current density) as well as an expression for the potential drop of the double layer are derived. Furthermore, the distribution of charged particles, electric field, and potential within the double layer are clarified and discussed. It is found that the properties of relativistic double layers differ substantially from the properties of corresponding non-relativistic double layers. (Author)

  8. Local density approximations for relativistic exchange energies

    International Nuclear Information System (INIS)

    MacDonald, A.H.

    1986-01-01

    The use of local density approximations to approximate exchange interactions in relativistic electron systems is reviewed. Particular attention is paid to the physical content of these exchange energies by discussing results for the uniform relativistic electron gas from a new point of view. Work on applying these local density approximations in atoms and solids is reviewed and it is concluded that good accuracy is usually possible provided self-interaction corrections are applied. The local density approximations necessary for spin-polarized relativistic systems are discussed and some new results are presented

  9. Kuhn e as ciências sociais

    Directory of Open Access Journals (Sweden)

    Jesus de Paula Assis

    1993-12-01

    Full Text Available No texto, são expostos os motivos básicos pelos quais o vocabulário emprestado de Thomas Kuhn - notadamente o termo paradigma - e o modelo de desenvolvimento científico exposto pelo autor em seu A estrutura das revoluções científicas foram tomados de empréstimo em textos que discutem a epistemologia das ciências sociais. A conclusão é que as supostas aplicações do modelo kuhniano às ciências sociais se baseiam em leitura que não encontra qualquer apoio no autor e, principalmente, obscurecem as implicações mais amplas de sua obra.The article shows for what reasons the vocabulary and the model for scientific growth of Thomas Kuhn were borrowed by epistemologists of the social sciences. The conclusion is that the texts produced in this vein are based in a shallow understanding of the author's main implications.

  10. O TOŻSAMOŚCI I POLITYCE

    Directory of Open Access Journals (Sweden)

    Katarzyna Warmińska

    2015-03-01

    Full Text Available Ostatnie dekady przyniosły znaczące zmiany w sferze stosunków etnicznych w Polsce. Można było zaob- serwować wzrastającą aktywność społeczności mniejszościowych, które stają się w coraz większym stopniu aktywnymi, coraz lepiej zorganizowanymi aktorami na scenie publicznej. W bardziej otwarty sposób komunikują swoje potrzeby, cele i wizje świata. Chcąc uchwycić istotę tych przemian postanowiłam zaaplikować, do ich analizy, koncepcję polityki tożsamości. Moim celem jest ukazanie swoistej „logiki” działania politycznego grup tożsamościowych, ze szczególnym uwzględnieniem jego wymiaru etnicznego z jednoczesnym wskazaniem na pożytek z zastosowania tego pojęcia do analizy zjawisk etnicznych w Polsce. Jako empiryczną egzemplifikację potraktowałam społeczność kaszubską.

  11. Electronic structure of FeTiSb using relativistic and scalar-relativistic approaches

    Energy Technology Data Exchange (ETDEWEB)

    Sahariya, Jagrati [Department of Physics, Manipal University Jaipur, Jaipur-303007, Rajasthan (India); Mund, H. S., E-mail: hmoond@gmail.com [Department of Physics, M. L. Sukhadia University, Udaipur-313001, Rajasthan (India)

    2016-05-06

    Electronic and magnetic properties of FeTiSb have been reported. The calculations are performed using spin polarized relativistic Korringa-Kohn-Rostoker scheme based on Green’s function method. Within SPR-KKR a fully relativistic and scalar-relativistic approaches have been used to investigate electronic structure of FeTiSb. Energy bands, total and partial density of states, atom specific magnetic moment along with total moment of FeTiSb alloys are presented.

  12. The Wigner function in the relativistic quantum mechanics

    Energy Technology Data Exchange (ETDEWEB)

    Kowalski, K., E-mail: kowalski@uni.lodz.pl; Rembieliński, J.

    2016-12-15

    A detailed study is presented of the relativistic Wigner function for a quantum spinless particle evolving in time according to the Salpeter equation. - Highlights: • We study the Wigner function for a quantum spinless relativistic particle. • We discuss the relativistic Wigner function introduced by Zavialov and Malokostov. • We introduce relativistic Wigner function based on the standard definition. • We find analytic expressions for relativistic Wigner functions.

  13. New relativistic generalization of the Heisenberg commutation relations

    International Nuclear Information System (INIS)

    Bohm, A.; Loewe, M.; Magnollay, P.; Tarlini, M.; Aldinger, R.R.; Kielanowski, P.

    1984-01-01

    A relativistic generalization of the Heisenberg commutation relations is suggested which is different from the conventional ones used for the intrinsic coordinates and momenta in the relativistic oscillator model and the relativistic string. This new quantum relativistic oscillator model is determined by the requirement that it gives a unified description of relativistic vibrations and rotations and contracts in the nonrelativistic limit c -1 →0 into the usual nonrelativistic harmonic oscillator

  14. A unified treatment of the non-relativistic and relativistic hydrogen atom: Pt. 2

    International Nuclear Information System (INIS)

    Swainson, R.A.; Drake, G.W.F.

    1991-01-01

    This is the second in a series of three papers in which it is shown how the radial part of non-relativistic and relativistic hydrogenic bound-state calculations involving the Green functions can be presented in a unified manner. In this paper the non-relativistic Green function is examined in detail; new functional forms are presented and a clear mathematical progression is show to link these and most other known forms. A linear transformation of the four radial parts of the relativistic Green function is given which allows for the presentation of this function as a simple generalization of the non-relativistic Green function. Thus, many properties of the non-relativistic Green function are shown to have simple relativistic generalizations. In particular, new recursion relations of the radial parts of both the non-relativistic and relativistic Green functions are presented, along with new expressions for the double Laplace transforms and recursion relations between the radial matrix elements. (author)

  15. A new approach to the semi-classical relativistic two-body problem for charged fermions

    International Nuclear Information System (INIS)

    Leiter, D.

    1978-01-01

    Generalizing from a recently developed hybrid formulation of classical electrodynamics with ''direct (charge-field) action'' structure an analogous semi-classical Dirac formulation of the theory is constructed, which is capable of describing the semi-classical quantum mechanics of two identical spin-1/2 particles. This semi-classical formulation is to be used as a heuristic aid in searching for the theoretical structure of a fully ''second quantized'' theory. The Pauli exclusion principle is incorporated by making the interaction fields (in the action principle) antisymmetric with respect to ''charge-field'' labeling. In this manner, ''position correlation'' effects associated with ''configuration interaction'' can also be accounted for. By studying the nature of the stationary-state solutions, the formalism is compared with the conventional quantum-mechanical one (to understand the similarities and the differences between this approach and the usual correlated Hartree-Fock approximation of ordinary relativistic quantum theory). The stationary-state solutions to the semi-classical formalism are shown to closely approximate the usual quantum-mechanical solutions when the wave functions are represented as a superposition of Slater determinants of Dirac-Coulombic-type wave functions with radial parts having a form which extremizes the total Breit energy. The manner in which this semi-classical theory might be extended to a fully ''second quantized'' formalism is sketched. (author)

  16. Time Operator in Relativistic Quantum Mechanics

    Science.gov (United States)

    Khorasani, Sina

    2017-07-01

    It is first shown that the Dirac’s equation in a relativistic frame could be modified to allow discrete time, in agreement to a recently published upper bound. Next, an exact self-adjoint 4 × 4 relativistic time operator for spin-1/2 particles is found and the time eigenstates for the non-relativistic case are obtained and discussed. Results confirm the quantum mechanical speculation that particles can indeed occupy negative energy levels with vanishingly small but non-zero probablity, contrary to the general expectation from classical physics. Hence, Wolfgang Pauli’s objection regarding the existence of a self-adjoint time operator is fully resolved. It is shown that using the time operator, a bosonic field referred here to as energons may be created, whose number state representations in non-relativistic momentum space can be explicitly found.

  17. On quantization of relativistic string theory

    International Nuclear Information System (INIS)

    Isaev, A.P.

    1982-01-01

    Quantization of the relativistic string theory based on methods of the constrained Hamiltonian systems quantization is considered. Connections of this approach and Polyakov's quantization are looked. New representation of a loop heat kernel is obtained

  18. Fourth sound in relativistic superfluidity theory

    International Nuclear Information System (INIS)

    Vil'chinskij, S.I.; Fomin, P.I.

    1995-01-01

    The Lorentz-covariant equations describing propagation of the fourth sound in the relativistic theory of superfluidity are derived. The expressions for the velocity of the fourth sound are obtained. The character of oscillation in sound is determined

  19. Relativistic Boltzmann theory for a plasma

    International Nuclear Information System (INIS)

    Erkelens, H. van.

    1984-01-01

    This thesis gives a self-contained treatment of the relativistic Boltzmann theory for a plasma. Here plasma means any mixture containing electrically charged particles. The relativistic Boltzmann equation is linearized for the case of a plasma. The Chapman-Enskog method is elaborated further for transport phenomena. Linear laws for viscous phenomena are derived. Then the collision term in the Boltzmann theory is dealt with. Using the transport equation, a kinetic theory of wave phenomena is developed and the dissipation of hydromagnetic waves in a relativistic plasma is investigated. In the final chapter, it is demonstrated how the relativistic Boltzmann theory can be applied in cosmology. In doing so, expressions are derived for the electric conductivity of the cosmological plasma in the lepton era, the plasma era and the annihilation era. (Auth.)

  20. Relativistic nuclear physics and quantum chromodynamics. Abstracts

    International Nuclear Information System (INIS)

    1994-01-01

    The data of investigations on problems of high energy physics are given. Special attention pays to quantum chromodynamics at large distances, cumulative processes, multiquark states and relativistic nuclear collisions

  1. Hot relativistic winds and the Crab nebula

    International Nuclear Information System (INIS)

    Fujimura, F.S.; Kennel, C.F.

    1981-01-01

    Efforts are reviewed to construct a self-consistent model of pulsar magnetospheres that links the particle source near the pulsar to the outflowing relativistic wind and couples the wind to the surrounding nebula. (Auth.)

  2. ULTRA-RELATIVISTIC NUCLEI: A NEW FRONTIER

    International Nuclear Information System (INIS)

    MCLERRAN, L.

    1999-01-01

    The collisions of ultra-relativistic nuclei provide a window on the behavior of strong interactions at asymptotically high energies. They also will allow the authors to study the bulk properties of hadronic matter at very high densities

  3. Natureza e ciências sociais

    Directory of Open Access Journals (Sweden)

    Gloria Maria Vargas

    2003-12-01

    Full Text Available A construção do sentido do termo natureza abrange diferentes áreas do conhecimento e tem sido objeto de reflexão tanto das ciências naturais quanto sociais. Nos desdobramentos do conhecimento produzido sobre esta temática existem diversas abordagens que, da perspectiva das ciências sociais, podem ser identificadas. O propósito deste artigo é considerar algumas dessas abordagens e relacioná-las com as novas práticas sociais que determinam formas de intervenção inéditas sobre a natureza, e que colocam questões para estas ciências, enquanto produtoras de conhecimento sobre o tema. De igual forma, explicita-se a substituição deste termo pelo de ambiente e, posteriormente, o aparecimento do desenvolvimento sustentável, como parte do cabedal conceitual com que a problemática em torno das relações naturezasociedade é abordada nas ciências sociais.La construcción del sentido del término naturaleza abarca diferentes áreas del conocimiento y ha sido objeto de reflexión tanto de las ciencias naturales como sociales. Los desdoblamientos del conocimiento producido sobre este tema muestran que existen diversos abordajes que pueden ser identificados desde la perspectiva de las ciencias sociales. El objetivo de este artículo es considerar algunos de esos abordajes y relacionarlos con las nuevas prácticas sociales que determinan formas de intervención inéditas sobre la naturaleza y que sugieren cuestionamientos para estas ciencias, como productoras de conocimiento sobre este tema. De igual manera, se explicita la substitución de este término por el de ambiente e, posteriormente, el aparecimiento del término desarrollo sostenible como parte del acervo conceptual con que es abordada la problemática alrededor de las relaciones naturaleza-sociedad en las ciencias sociales.The construction of the term nature involves different areas of knowledge and has been the object of inquiry of both natural and social sciences. The knowledge

  4. Summary of the relativistic heavy ion sessions

    International Nuclear Information System (INIS)

    Harris, J.W.

    1988-01-01

    The topics covered in the Relativistic Heavy Ion Sessions span four orders of magnitude in energy in the laboratory and a few more in theory. In the two years since the last Intersections conference, experiments in the field of very high energy heavy ion research have begun at CERN and Brookhaven. The prime motivation for these experiments is the possibility of forming quark matter. This paper is a review of the topics covered in the Relativistic Heavy Ion Sessions

  5. Relativistic charged fluids: hydrodynamic and kinetic approaches

    International Nuclear Information System (INIS)

    Debbasch, F.; Bonnaud, G.

    1991-10-01

    This report gives a rigorous and consistent hydrodynamic and kinetic description of a charged fluid and the basis equations, in a relativistic context. This study should lead to a reliable model, as much analytical as numerical, of relativistic plasmas which will appear in the interaction of a strong laser field with a plasma. For simplicity, we limited our study to a perfect fluid or, in other words, we disregarded the energy dissipation processes inside the fluid [fr

  6. On the convexity of relativistic hydrodynamics

    International Nuclear Information System (INIS)

    Ibáñez, José M; Martí, José M; Cordero-Carrión, Isabel; Miralles, Juan A

    2013-01-01

    The relativistic hydrodynamic system of equations for a perfect fluid obeying a causal equation of state is hyperbolic (Anile 1989 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 Plohr1989 Rev. Mod. Phys. 61 75). The classical limit is recovered. Communicated by L Rezzolla (note)

  7. Chiral quark model with relativistic kinematics

    International Nuclear Information System (INIS)

    Garcilazo, H.; Valcarce, A.

    2003-01-01

    The nonstrange 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 σ meson) leads to an overall good description of the spectrum

  8. Chiral quark model with relativistic kinematics

    OpenAIRE

    Garcilazo, H.; Valcarce, A.

    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.

  9. Limits and signatures of relativistic spaceflight

    Science.gov (United States)

    Yurtsever, Ulvi; Wilkinson, Steven

    2018-01-01

    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 photons from an ultra-relativistic object may create radiation with a characteristic signature allowing the detection of such objects at large distances.

  10. Relativistic klystron research at SLAC and LLNL

    International Nuclear Information System (INIS)

    Allen, M.A.; Callin, R.S.; Deruyter, H.

    1988-06-01

    We are developing relativistic klystrons as a power source for high gradient accelerator applications such as large linear electron-positron colliders and compact accelerators. We have attained 200 MW peak power at 11.4 GHz from a relativistic klystron, and 140 MV/m longitudinal gradient in a short 11.4 GHz accelerator section. We report here briefly on our experiments so far. 5 refs., 1 fig., 1 tab

  11. Fundamental laws of relativistic classical dynamics revisited

    International Nuclear Information System (INIS)

    Blaquiere, Augustin

    1977-01-01

    By stating that a linear differential form, whose coefficients are the components of the momentum and the energy of a particle, has an antiderivative, the basic equations of the dynamics of points are obtained, in the relativistic case. From the point of view of optimization theory, a connection between our condition and the Bellman-Isaacs equation of dynamic programming is discussed, with a view to extending the theory to relativistic wave mechanics [fr

  12. Dechanneling function for relativistic axially channeled electrons

    International Nuclear Information System (INIS)

    Muralev, V.A.; Telegin, V.I.

    1981-01-01

    Behaviour of the x(t) dechanneling function depending on the depth is theoretically studied. Theoretical consideration of x(t) for axial channeled relativistic electrons in anisotropic medium results in two-dimensional kinetic equation with mixed derivatives of the parabolic type. The kinetic equation in the approximation of the continuous Lindchard model for relativistic axial channeled electrons is numerically solved. The depth dependence of the x(t) dechanneling function is obtained [ru

  13. Relativistic positioning systems: Numerical simulations

    Science.gov (United States)

    Puchades Colmenero, Neus

    The position of users located on the Earth's surface or near it may be found with the classic positioning systems (CPS). Certain information broadcast by satellites of global navigation systems, as GPS and GALILEO, may be used for positioning. The CPS are based on the Newtonian formalism, although relativistic post-Newtonian corrections are done when they are necessary. This thesis contributes to the development of a different positioning approach, which is fully relativistic from the beginning. In the relativistic positioning systems (RPS), the space-time position of any user (ship, spacecraft, and so on) can be calculated with the help of four satellites, which broadcast their proper times by means of codified electromagnetic signals. In this thesis, we have simulated satellite 4-tuples of the GPS and GALILEO constellations. If a user receives the signals from four satellites simultaneously, the emission proper times read -after decoding- are the user "emission coordinates". In order to find the user "positioning coordinates", in an appropriate almost inertial reference system, there are two possibilities: (a) the explicit relation between positioning and emission coordinates (broadcast by the satellites) is analytically found or (b) numerical codes are designed to calculate the positioning coordinates from the emission ones. Method (a) is only viable in simple ideal cases, whereas (b) allows us to consider realistic situations. In this thesis, we have designed numerical codes with the essential aim of studying two appropriate RPS, which may be generalized. Sometimes, there are two real users placed in different positions, which receive the same proper times from the same satellites; then, we say that there is bifurcation, and additional data are needed to choose the real user position. In this thesis, bifurcation is studied in detail. We have analyzed in depth two RPS models; in both, it is considered that the satellites move in the Schwarzschild's space

  14. Relativistic gas in a Schwarzschild metric

    International Nuclear Information System (INIS)

    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 the 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 temperature) and ultra-relativistic (high temperature) 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 state of equilibrium of a relativistic gas in a gravitational field can be attained only if the temperature gradient is counterbalanced by a gravitational potential gradient. (paper)

  15. A Comprehensive Comparison of Relativistic Particle Integrators

    Science.gov (United States)

    Ripperda, B.; Bacchini, F.; Teunissen, J.; Xia, C.; Porth, O.; Sironi, L.; Lapenta, G.; Keppens, R.

    2018-03-01

    We compare relativistic particle integrators commonly used in plasma physics, showing several test cases relevant for astrophysics. Three explicit particle pushers are considered, namely, the Boris, Vay, and Higuera–Cary schemes. We also present a new relativistic fully implicit particle integrator that is energy conserving. Furthermore, a method based on the relativistic guiding center approximation is included. The algorithms are described such that they can be readily implemented in magnetohydrodynamics codes or Particle-in-Cell codes. Our comparison focuses on the strengths and key features of the particle integrators. We test the conservation of invariants of motion and the accuracy of particle drift dynamics in highly relativistic, mildly relativistic, and non-relativistic settings. The methods are compared in idealized test cases, i.e., without considering feedback onto the electrodynamic fields, collisions, pair creation, or radiation. The test cases include uniform electric and magnetic fields, {\\boldsymbol{E}}× {\\boldsymbol{B}} fields, force-free fields, and setups relevant for high-energy astrophysics, e.g., a magnetic mirror, a magnetic dipole, and a magnetic null. These tests have direct relevance for particle acceleration in shocks and in magnetic reconnection.

  16. Relativistic mechanics, time and inertia

    International Nuclear Information System (INIS)

    Kilmister, C.W.; Tocaci, E.

    1985-01-01

    This book offers a thought-provoking approach to the fundamentals of relativity, and is structured to provide a clear-cut introduction to the essentials of relativistic mechanics. It seeks to emphasize the sensible content of concepts, to improve on their inherent or often forgotten fuzziness, and to explore prospects for their further exploitation. The work also provides an analysis conducive to a rigorous, normative definition of Time, which is seen as a synthesis of universal motion, instrumental in defining a general measure to transformations, and as a sufficient reason to suppose that the speed of light must be the same in all inertial reference frames - hence showing this cardinal postulate to be a demonstrable truth. Moreover it provides an augmented perception of what inertial vs. non-inertial systems are. In addition, the book offers a natural, time-like interpretation of Space that departs from the usual converse approach; it offers a self-consistent proposal to rationalize the axiomatic grounds of mechanics, based on a single postulate in conjunction with the overall approach developed. (author). refs.; figs.; tabs

  17. Canonical formalism for relativistic dynamics

    International Nuclear Information System (INIS)

    Penafiel-Nava, V.M.

    1982-01-01

    The possibility of a canonical formalism appropriate for a dynamical theory of isolated relativistic multiparticle systems involving scalar interactions is studied. It is shown that a single time-parameter structure satisfying the requirements of Poincare invariance and simultaneity of the constituents (global tranversality) can not be derived from a homogeneous Lagrangian. The dynamics is deduced initially from a non-homogeneous but singular Lagrangian designed to accommodate the global tranversality constraints with the equaltime plane associated to the total momentum of the system. An equivalent standard Lagrangian is used to generalize the parametrization procedure which is referred to an arbitrary geodesic in Minkowski space. The equations of motion and the definition of center of momentum are invariant with respect to the choice of geodesic and the entire formalism becomes separable. In the original 8N-dimensional phase-space, the symmetries of the Lagrangian give rise to a canonical realization of a fifteen-generator Lie algebra which is projected in the 6N dimensional hypersurface of dynamical motions. The time-component of the total momentum is thus reduced to a neutral element and the canonical Hamiltonian survives as the only generator for time-translations so that the no-interaction theorem becomes inapplicable

  18. Static Code Analysis with Gitlab-CI

    CERN Document Server

    Datko, Szymon Tomasz

    2016-01-01

    Static Code Analysis is a simple but efficient way to ensure that application’s source code is free from known flaws and security vulnerabilities. Although such analysis tools are often coming with more advanced code editors, there are a lot of people who prefer less complicated environments. The easiest solution would involve education – where to get and how to use the aforementioned tools. However, counting on the manual usage of such tools still does not guarantee their actual usage. On the other hand, reducing the required effort, according to the idea “setup once, use anytime without sweat” seems like a more promising approach. In this paper, the approach to automate code scanning, within the existing CERN’s Gitlab installation, is described. For realization of that project, the Gitlab-CI service (the “CI” stands for "Continuous Integration"), with Docker assistance, was employed to provide a variety of static code analysers for different programming languages. This document covers the gene...

  19. Filosofia da ciência e ensino da ciência: uma analogia

    Directory of Open Access Journals (Sweden)

    Alberto Villani

    2001-01-01

    Full Text Available Neste trabalho, inicialmente explicitaremos nossa compreensão do debate entre Kuhn, Popper, Lakatos e Feyerabend na Conferencia Internacional sobre Filosofia da Ciência (1965, delineando as diferenças nas posições de nossos filósofos. Em seguida apresentaremos um quadro das posições sobre o ensino de ciências, assim como nos parecem caracterizar os último 30 anos de pesquisas na área. Finalmente tentaremos uma aproximação dos dois campos, procurando salientar as implicações que a problemática filosófica teve e tem para uma maior compreensão do ensino de ciências e matemática.

  20. Proper time axis of a closed relativistic system

    International Nuclear Information System (INIS)

    Chernikov, N.A.; Fadeev, N.G.; Shavokhina, N.S.

    1997-01-01

    The definition of a proper time axis of a closed relativistic system of colliding particles is given. The solution of the proper time axis problem is presented. If the light velocity c equals the imaginary unit i, then in the case of a plane motion of the system the problem about the proper time axis turns out to be equivalent to the known in engineering mechanics problem about the reduction of any system of forces, applied to a rigid body, to the dynamic screw. In the general case, when c=i, the problem about the proper time axis turns out to be equivalent to the problem about the reduction to the dynamic screw of a system of forces, applied to a rigid body in a four-dimensional Euclidean space

  1. Relativistic many-body theory of atomic transitions. The relativistic equation-of-motion approach

    International Nuclear Information System (INIS)

    Huang, K.

    1982-01-01

    An equation-of-motion approach is used to develop the relativistic many-body theory of atomic transitions. The relativistic equations of motion for transition matrices are formulated with the use of techniques of quantum-field theory. To reduce the equations of motion to a tractable form which is appropriate for numerical calculations, a graphical method to resolve the complication arising from the antisymmetrization and angular-momentum coupling is employed. The relativistic equation-of-motion method allows an ab initio treatment of correlation and relativistic effects in both closed- and open-shell many-body systems. A special case of the present formulation reduces to the relativistic random-phase approximation

  2. Relativistic entanglement from relativistic quantum mechanics in the rest-frame instant form of dynamics

    International Nuclear Information System (INIS)

    Lusanna, Luca

    2011-01-01

    After a review of the problems induced by the Lorentz signature of Minkowski space-time, like the need of a clock synchronization convention for the definition of 3-space and the complexity of the notion of relativistic center of mass, there is the introduction of a new formulation of relativistic quantum mechanics compatible with the theory of relativistic bound states. In it the zeroth postulate of non-relativistic quantum mechanics is not valid and the physics is described in the rest frame by a Hilbert space containing only relative variables. The non-locality of the Poincare' generators imply a kinematical non-locality and non-separability influencing the theory of relativistic entanglement and not connected with the standard quantum non-locality.

  3. Od ciężkości astmy do kontroli astmy. Metody oceny kontroli astmy

    Directory of Open Access Journals (Sweden)

    Joanna Mikołajczyk

    2009-09-01

    Full Text Available Według pierwszych wytycznych dotyczących postępowania w astmie leczenie astmy zależy od stopnia jej cięż- kości, określonej na podstawie objawów klinicznych i wskaźników czynności płuc. Ponieważ astma jest chorobą o zmiennym przebiegu, duże znaczenie ma jej ciągła ocena kliniczna i dostosowana do niej modyfikacja leczenia. Niestety, stopień ciężkości nie dopasowuje się elastycznie do odpowiedzi na leczenie. Biorąc ten fakt pod uwagę, światowi eksperci zalecają zmianę w postępowaniu z astmą, przedkładając uzyskanie klinicznej kontroli astmy nad ustaleniem stopnia jej ciężkości, wyróżniając astmę kontrolowaną, częściowo kontrolowaną i niekontrolowaną. Uzyskanie stanu pełnej kontroli astmy formułuje się w raporcie GINA 2006 jako główny cel leczenia. Kontrola astmy odnosi się do stopnia opanowania objawów i byłoby najlepiej, gdyby dotyczyła też markerów zapalenia i patofizjologicznych wykładników choroby. Określenie stopnia kontroli choroby zgodnie z obecnymi założeniami stanowi podstawę wyboru i modyfikacji leczenia – właściwe ustalenie stopnia kontroli astmy wpływa na skuteczność leczenia. Obecnie dostępnych jest wiele metod oceny kontroli astmy, wtym ocena parametrów klinicznych (objawy w ciągu dnia, objawy nocne, stosowanie leków rozszerzających oskrzela, ocena czynności płuc (PEF i FEV1, określenie zaawansowania zapalenia w drogach oddechowych (nieswoista nadreaktywność oskrzeli, stężenie tlenku azotu w powietrzu wydechowym, liczba eozynofili w plwocinie indukowanej. Dostępne są także subiektywnie oceniające kontrolę astmy kwestionariusze badawcze oraz szybkie testy kontroli astmy (ACT, ACQ, ATAQ. Z drugiej strony wciąż nie wypracowano jednoznacznego stanowiska, który z parametrów lub jakie połączenia parametrów najbardziej wiarygodnie określają kontrolę astmy. Ze względu na wieloczynnikową patogenezę astmy wydaje się, iż uzyskanie pe

  4. Development of Xi'an-CI package – applying the hole–particle symmetry in multi-reference electronic correlation calculations

    Science.gov (United States)

    Suo, Bingbing; Lei, Yibo; Han, Huixian; Wang, Yubin

    2018-04-01

    This mini-review introduces our works on the Xi'an-CI (configuration interaction) package using graphical unitary group approach (GUGA). Taking advantage of the hole-particle symmetry in GUGA, the Galfand states used to span the CI space are classified into CI subspaces according to the number of holes and particles, and the coupling coefficients used to calculate Hamiltonian matrix elements could be factorised into the segment factors in the hole, active and external spaces. An efficient multi-reference CI with single and double excitations (MRCISD) algorithm is thus developed that reduces the storage requirement and increases the number of correlated electrons significantly. The hole-particle symmetry also gives rise to a doubly contracted MRCISD approach. Moreover, the internally contracted Gelfand states are defined within the CI subspace arising from the hole-particle symmetry, which makes the implementation of internally contracted MRCISD in the framework of GUGA possible. In addition to MRCISD, the development of multi-reference second-order perturbation theory (MRPT2) also benefits from the hole-particle symmetry. A configuration-based MRPT2 algorithm is proposed and extended to the multi-state n-electron valence-state second-order perturbation theory.

  5. RELATIVISTIC HEAVY ION COLLISIONS: EXPERIMENT

    Energy Technology Data Exchange (ETDEWEB)

    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.

  6. Relativistic model for statevector reduction

    International Nuclear Information System (INIS)

    Pearle, P.

    1991-04-01

    A relativistic quantum field model describing statevector reduction for fermion states is presented. The time evolution of the states is governed by a Schroedinger equation with a Hamiltonian that has a Hermitian and a non-Hermitian part. In addition to the fermions, the Hermitian part describes positive and negative energy mesons of equal mass, analogous to the longitudinal and timelike photons of electromagnetism. The meson-field-sum is coupled to the fermion field. This ''dresses'' each fermion so that, in the extreme nonrelativistic limit (non-moving fermions), a fermion in a position eigenstate is also in an eigenstate of the meson-field-difference with the Yukawa-potential as eigenvalue. However, the fermions do not interact: this is a theory of free dressed fermions. It is possible to obtain a stationary normalized ''vacuum'' state which satisfies two conditions analogous to the gauge conditions of electromagnetism (i.e., that the meson-field-difference, as well as its time derivative, give zero when applied to the vacuum state), to any desired degree of accuracy. The non-Hermitian part of the Hamiltonian contains the coupling of the meson-field-difference to an externally imposed c-number fluctuating white noise field, of the CSL (Continuous Spontaneous Localization) form. This causes statevector reduction, as is shown in the extreme nonrelativistic limit. For example, a superposition of spatially separated wavepackets of a fermion will eventually be reduced to a single wavepacket: the meson-field-difference discriminates among the Yukawa-potential ''handles'' attached to each wavepacket, thereby selecting one wavepacket to survive by the CSL mechanism. Analysis beyond that given in this paper is required to see what happens when the fermions are allowed to move. (It is possible that the ''vacuum'' state becomes involved in the dynamics so that the ''gauge'' conditions can no longer be maintained.) It is shown how to incorporate these ideas into quantum

  7. Valence ionized states of iron pentacarbonyl and eta5-cyclopentadienyl cobalt dicarbonyl studied by symmetry-adapted cluster-configuration interaction calculation and collision-energy resolved Penning ionization electron spectroscopy.

    Science.gov (United States)

    Fukuda, Ryoichi; Ehara, Masahiro; Nakatsuji, Hiroshi; Kishimoto, Naoki; Ohno, Koichi

    2010-02-28

    Valence ionized states of iron pentacarbonyl Fe(CO)(5) and eta(5)-cyclopentadienyl cobalt dicarbonyl Co(eta(5)-C(5)H(5))(CO)(2) have been studied by ultraviolet photoelectron spectroscopy, two-dimensional Penning ionization electron spectroscopy (2D-PIES), and symmetry-adapted cluster-configuration interaction calculations. Theory provided reliable assignments for the complex ionization spectra of these molecules, which have metal-carbonyl bonds. Theoretical ionization energies agreed well with experimental observations and the calculated wave functions could explain the relative intensities of PIES spectra. The collision-energy dependence of partial ionization cross sections (CEDPICS) was obtained by 2D-PIES. To interpret these CEDPICS, the interaction potentials between the molecules and a Li atom were examined in several coordinates by calculations. The relation between the slope of the CEDPICS and the electronic structure of the ionized states, such as molecular symmetry and the spatial distribution of ionizing orbitals, was analyzed. In Fe(CO)(5), an attractive interaction was obtained for the equatorial CO, while the interaction for the axial CO direction was repulsive. For Co(eta(5)-C(5)H(5))(CO)(2), the interaction potential in the direction of both Co-C-O and Co-Cp ring was attractive. These anisotropic interactions and ionizing orbital distributions consistently explain the relative slopes of the CEDPICS.

  8. Particulate emissions from biodiesel fuelled CI engines

    International Nuclear Information System (INIS)

    Agarwal, Avinash Kumar; Gupta, Tarun; Shukla, Pravesh C.; Dhar, Atul

    2015-01-01

    Highlights: • Physical and chemical characterization of biodiesel particulates. • Toxicity of biodiesel particulate due to EC/OC, PAHs and BTEX. • Trace metals and unregulated emissions from biodiesel fuelled diesel engines. • Influence of aftertreatment devices and injection strategy on biodiesel particulates. • Characterization of biodiesel particulate size-number distribution. - Abstract: Compression ignition (CI) engines are the most popular prime-movers for transportation sector as well as for stationary applications. Petroleum reserves are rapidly and continuously depleting at an alarming pace and there is an urgent need to find alternative energy resources to control both, the global warming and the air pollution, which is primarily attributed to combustion of fossil fuels. In last couple of decades, biodiesel has emerged as the most important alternative fuel candidate to mineral diesel. Numerous experimental investigations have confirmed that biodiesel results in improved engine performance, lower emissions, particularly lower particulate mass emissions vis-à-vis mineral diesel and is therefore relatively more environment friendly fuel, being renewable in nature. Environmental and health effects of particulates are not simply dependent on the particulate mass emissions but these change depending upon varying physical and chemical characteristics of particulates. Particulate characteristics are dependent on largely unpredictable interactions between engine technology, after-treatment technology, engine operating conditions as well as fuel and lubricating oil properties. This review paper presents an exhaustive summary of literature on the effect of biodiesel and its blends on exhaust particulate’s physical characteristics (such as particulate mass, particle number-size distribution, particle surface area-size distribution, surface morphology) and chemical characteristics (such as elemental and organic carbon content, speciation of polyaromatic

  9. Chaos and maps in relativistic rynamical systems

    Directory of Open Access Journals (Sweden)

    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.

  10. Exact quantisation of the relativistic Hopfield model

    Energy Technology Data Exchange (ETDEWEB)

    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.

  11. Relativistic stars in vector-tensor theories

    Science.gov (United States)

    Kase, Ryotaro; Minamitsuji, Masato; Tsujikawa, Shinji

    2018-04-01

    We study relativistic star solutions in second-order generalized Proca theories characterized by a U (1 )-breaking vector field with derivative couplings. In the models with cubic and quartic derivative coupling, the mass and radius of stars become larger than those in general relativity for negative derivative coupling constants. This phenomenon is mostly attributed to the increase of star radius induced by a slower decrease of the matter pressure compared to general relativity. There is a tendency that the relativistic star with a smaller mass is not gravitationally bound for a low central density and hence is dynamically unstable, but that with a larger mass is gravitationally bound. On the other hand, we show that the intrinsic vector-mode couplings give rise to general relativistic solutions with a trivial field profile, so the mass and radius are not modified from those in general relativity.

  12. Spinning relativistic particles in external fields

    International Nuclear Information System (INIS)

    Pomeranskii, Andrei A; Sen'kov, Roman A; Khriplovich, Iosif B

    2000-01-01

    The motion of spinning relativistic particles in external electromagnetic and gravitational fields is considered. The self-consistent equations of motion are built with the noncovariant description of spin and with the usual, 'naive' definition of the coordinate of a relativistic particle. A simple derivation of the gravitational interaction of first order in spin is presented for a relativistic particle. The approach developed allows one to consider effects of higher order in spin. Concrete calculations are performed for the second order. The gravimagnetic moment is discussed, a special spin effect in general relativity. We also consider the contributions of the spin interactions of first and second order to the gravitational radiation of compact binary stars. (from the current literature)

  13. Nonlinear relativistic plasma resonance: Renormalization group approach

    Energy Technology Data Exchange (ETDEWEB)

    Metelskii, I. I., E-mail: metelski@lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation); Kovalev, V. F., E-mail: vfkvvfkv@gmail.com [Dukhov All-Russian Research Institute of Automatics (Russian Federation); Bychenkov, V. Yu., E-mail: bychenk@lebedev.ru [Russian Academy of Sciences, Lebedev Physical Institute (Russian Federation)

    2017-02-15

    An analytical solution to the nonlinear set of equations describing the electron dynamics and electric field structure in the vicinity of the critical density in a nonuniform plasma is constructed using the renormalization group approach with allowance for relativistic effects of electron motion. It is demonstrated that the obtained solution describes two regimes of plasma oscillations in the vicinity of the plasma resonance— stationary and nonstationary. For the stationary regime, the spatiotemporal and spectral characteristics of the resonantly enhanced electric field are investigated in detail and the effect of the relativistic nonlinearity on the spatial localization of the energy of the plasma relativistic field is considered. The applicability limits of the obtained solution, which are determined by the conditions of plasma wave breaking in the vicinity of the resonance, are established and analyzed in detail for typical laser and plasma parameters. The applicability limits of the earlier developed nonrelativistic theories are refined.

  14. Theory of relativistic radiation reflection from plasmas

    Science.gov (United States)

    Gonoskov, Arkady

    2018-01-01

    We consider the reflection of relativistically strong radiation from plasma and identify the physical origin of the electrons' tendency to form a thin sheet, which maintains its localisation throughout its motion. Thereby, we justify the principle of relativistic electronic spring (RES) proposed in [Gonoskov et al., Phys. Rev. E 84, 046403 (2011)]. Using the RES principle, we derive a closed set of differential equations that describe the reflection of radiation with arbitrary variation of polarization and intensity from plasma with an arbitrary density profile for an arbitrary angle of incidence. We confirm with ab initio PIC simulations that the developed theory accurately describes laser-plasma interactions in the regime where the reflection of relativistically strong radiation is accompanied by significant, repeated relocation of plasma electrons. In particular, the theory can be applied for the studies of plasma heating and coherent and incoherent emissions in the RES regime of high-intensity laser-plasma interaction.

  15. Relativistic transport theory for cosmic-rays

    International Nuclear Information System (INIS)

    Webb, G.M.

    1985-01-01

    Various aspects of the transport of cosmic-rays in a relativistically moving magnetized plasma supporting a spectrum of hydromagnetic waves that scatter the cosmic-rays are presented. A local Lorentz frame moving with the waves or turbulence scattering the cosmic-rays is used to specify the individual particle momentum. The comoving frame is in general a noninertial frame in which the observer's volume element is expanding and shearing, geometric energy change terms appear in the cosmic-ray transport equation which consist of the relativistic generalization of the adiabatic deceleration term and a further term involving the acceleration vector of the scatterers. A relativistic version of the pitch angle evolution equation, including the effects of adiabatic focussing, pitch angle scattering, and energy changes is presented

  16. Relativistic Spacecraft Propelled by Directed Energy

    Science.gov (United States)

    Kulkarni, Neeraj; Lubin, Philip; Zhang, Qicheng

    2018-04-01

    Achieving relativistic flight to enable extrasolar exploration is one of the dreams of humanity and the long-term goal of our NASA Starlight program. We derive a relativistic solution for the motion of a spacecraft propelled by radiation pressure from a directed energy (DE) system. Depending on the system parameters, low-mass spacecraft can achieve relativistic speeds, thus enabling interstellar exploration. The diffraction of the DE system plays an important role and limits the maximum speed of the spacecraft. We consider “photon recycling” as a possible method to achieving higher speeds. We also discuss recent claims that our previous work on this topic is incorrect and show that these claims arise from an improper treatment of causality.

  17. Relativistic dynamical reduction models and nonlocality

    International Nuclear Information System (INIS)

    Ghirardi, G.C.; Grassi, R.

    1990-09-01

    We discuss some features of continuous dynamical models yielding state vector reduction and we briefly sketch some recent attempts to get a relativistic generalization of them. Within the relativistic context we analyze in detail the local an nonlocal features of the reduction mechanism and we investigate critically the possibility of attributing objective properties to individual systems in the micro and macroscopic cases. At the nonrelativistic level, two physically equivalent versions of continuous reduction mechanisms have been presented. However, only one of them can be taken as a starting point for the above considered relativistic generalization. By resorting to counterfactual arguments we show that the reason for this lies in the fact that the stochasticity involved in the two approaches has different conceptual implications. (author). 7 refs, 4 figs

  18. Viscous photons in relativistic heavy ion collisions

    International Nuclear Information System (INIS)

    Dion, Maxime; Paquet, Jean-Francois; Young, Clint; Jeon, Sangyong; Gale, Charles; Schenke, Bjoern

    2011-01-01

    Theoretical studies of the production of real thermal photons in relativistic heavy ion collisions at the Relativistic Heavy Ion Collider (RHIC) are performed. The space-time evolution of the colliding system is modelled using music, a 3+1D relativistic hydrodynamic simulation, using both its ideal and viscous versions. The inclusive spectrum and its azimuthal angular anisotropy are studied separately, and the relative contributions of the different photon sources are highlighted. It is shown that the photon v 2 coefficient is especially sensitive to the details of the microscopic dynamics like the equation of state, the ratio of shear viscosity over entropy density, η/s, and to the morphology of the initial state.

  19. Relativistic spin precession in the double pulsar.

    Science.gov (United States)

    Breton, Rene P; Kaspi, Victoria M; Kramer, Michael; McLaughlin, Maura A; Lyutikov, Maxim; Ransom, Scott M; Stairs, Ingrid H; Ferdman, Robert D; Camilo, Fernando; Possenti, Andrea

    2008-07-04

    The double pulsar PSR J0737-3039A/B consists of two neutron stars in a highly relativistic orbit that displays a roughly 30-second eclipse when pulsar A passes behind pulsar B. Describing this eclipse of pulsar A as due to absorption occurring in the magnetosphere of pulsar B, we successfully used a simple geometric model to characterize the observed changing eclipse morphology and to measure the relativistic precession of pulsar B's spin axis around the total orbital angular momentum. This provides a test of general relativity and alternative theories of gravity in the strong-field regime. Our measured relativistic spin precession rate of 4.77 degrees (-0 degrees .65)(+0 degrees .66) per year (68% confidence level) is consistent with that predicted by general relativity within an uncertainty of 13%.

  20. Neutron relativistic phenomenological and microscopic optical potential

    International Nuclear Information System (INIS)

    Shen Qing-biao; Feng Da-chun; Zhuo Yi-zhong

    1991-01-01

    In this paper, both the phenomenological and microscopic neutron relativistic optical potentials are presented. The global neutron relativistic phenomenological optical potential (RPOP) based on the available experimental data for various nuclei ranging from C to U with incident energies E n =20--1000 MeV has been obtained through an automatic search of the best parameters by computer. Then the nucleon relativistic microscopic optical potential (RMOP) is studied by utilizing the effective Lagrangian based on the popular Walecka model. Through comparison between the theoretical results and experimental data we shed some insight into both the RMOP and RPOP. Further improvement concerning how to combine the phenomenological potential with the microscopic one in order to reduce the number of free parameters appearing in the RPOP is suggested

  1. Relativistic thermodynamics and kinetic theory, with applications to cosmology

    International Nuclear Information System (INIS)

    Stewart, J.M.

    1973-01-01

    The discussion of relativistic thermodynamics and kinetic theory with applications to cosmology also covers the fundamentals and nonequilibrium relativistic kinetic theory and applications to cosmology and astrophysics. (U.S.)

  2. Relativistic supersymmetric quantum mechanics based on Klein-Gordon equation

    International Nuclear Information System (INIS)

    Znojil, Miloslav

    2004-01-01

    Witten's the non-relativistic formalism of supersymmetric quantum mechanics was based on a factorization and partnership between Schroedinger equations. We show how it accommodates a transition to the partnership between relativistic Klein-Gordon equations

  3. Observational and theoretical aspects of relativistic astrophysics and cosmology

    International Nuclear Information System (INIS)

    Sanz, J.L.; Goicoechea, L.J.

    1985-01-01

    The studies of relativistic astrophysics and cosmology in these proceedings include primordial nucleosynthesis, nonluminous matter, star and galaxy evolution, cosmic microwave background, and general relativistic models of the universe

  4. Pivotal issues on relativistic electrons in ITER

    Science.gov (United States)

    Boozer, Allen H.

    2018-03-01

    The transfer of the plasma current from thermal to relativistic electrons is a threat to ITER achieving its mission. This danger is significantly greater in the nuclear than in the non-nuclear phase of ITER operations. Two issues are pivotal. The first is the extent and duration of magnetic surface breaking in conjunction with the thermal quenches. The second is the exponential sensitivity of the current transfer to three quantities: (1) the poloidal flux change required to e-fold the number of relativistic electrons, (2) the time τa after the beginning of the thermal quench before the accelerating electric field exceeds the Connor-Hastie field for runaway, and (3) the duration of the period τ_op in which magnetic surfaces remain open. Adequate knowledge does not exist to devise a reliable strategy for the protection of ITER. Uncertainties are sufficiently large that a transfer of neither a negligible nor the full plasma current to relativistic electrons can be ruled out during the non-nuclear phase of ITER. Tritium decay can provide a sufficiently strong seed for a dangerous relativistic-electron current even if τa and τ_op are sufficiently long to avoid relativistic electrons during non-nuclear operations. The breakup of magnetic surfaces that is associated with thermal quenches occurs on a time scale associated with fast magnetic reconnection, which means reconnection at an Alfvénic rather than a resistive rate. Alfvénic reconnection is well beyond the capabilities of existing computational tools for tokamaks, but its effects can be studied using its property of conserving magnetic helicity. Although the dangers to ITER from relativistic electrons have been known for twenty years, the critical issues have not been defined with sufficient precision to formulate an effective research program. Studies are particularly needed on plasma behavior in existing tokamaks during thermal quenches, behavior which could be clarified using methods developed here.

  5. An energy principle for two-dimensional collisionless relativistic plasmas

    International Nuclear Information System (INIS)

    Otto, A.; Schindler, K.

    1984-01-01

    Using relativistic Vlasov theory an energy principle for two-dimensional plasmas is derived, which provides a sufficient and necessary criterion for the stability of relativistic plasma equilibria. This energy principle includes charge separating effects since the exact Poisson equation was taken into consideration. Applying the variational principle to the case of the relativistic plane plasma sheet, the same marginal wave length is found as in the non-relativistic case. (author)

  6. General Relativistic Calculations for White Dwarf Stars

    OpenAIRE

    Mathew, Arun; Nandy, Malay K.

    2014-01-01

    The mass-radius relations for white dwarf stars are investigated by solving the Newtonian as well as Tolman-Oppenheimer-Volkoff (TOV) equations for hydrostatic equilibrium assuming the electron gas to be non-interacting. We find that the Newtonian limiting mass of $1.4562M_\\odot$ is modified to $1.4166M_\\odot$ in the general relativistic case for $^4_2$He (and $^{12}_{\\ 6}$C) white dwarf stars. Using the same general relativistic treatment, the critical mass for $^{56}_{26}$Fe white dwarf is ...

  7. Relativistic quantum mechanics of leptons and fields

    International Nuclear Information System (INIS)

    Grandy, W.T. Jr.

    1991-01-01

    This book serves as an advanced text on the Dirac theory, and provides a monograph summarizing the description of relativistic quantum mechanics and quantum electrodynamics as classical field theories. It presents a broad, detailed, and up-to-date exposition of relativistic quantum mechanics, including the two-body problem. It also demonstrates the extent to which the behavior of stable particles and their interactions can be understood without introducing operator (second-quantized) fields. The subsequent difficulties are studied in detail and possible resolutions are presented through quantum field theory

  8. The relativistic Brownian motion: Interdisciplinary applications

    International Nuclear Information System (INIS)

    Aragones-Munoz, A; Sandoval-Villalbazo, A

    2010-01-01

    Relativistic Brownian motion theory will be applied to the study of analogies between physical and economic systems, emphasizing limiting cases in which Gaussian distributions are no longer valid. The characteristic temperatures of the particles will be associated with the concept of variance, and this will allow us to choose whether the pertinent distribution is classical or relativistic, while working specific situations. The properties of particles can be interpreted as economic variables, in order to study the behavior of markets in terms of Levy financial processes, since markets behave as stochastic systems. As far as we know, the application of the Juettner distribution to the study of economic systems is a new idea.

  9. Relativistic motion in gamma-ray bursts

    International Nuclear Information System (INIS)

    Krolik, J.H.; Pier, E.A.

    1991-01-01

    Three fundamental problems affect models of gamma-ray bursts, i.e., the energy source, the ability of high-energy photons to escape the radiation region, and the comparative weakness of X-ray emission. It is indicated that relativistic bulk motion of the gamma-ray-emitting plasma generically provides a solution to all three of these problems. Results show that, if the plasma that produces gamma-ray bursts has a bulk relativistic velocity with Lorentz factor gamma of about 10, several of the most troubling problems having to do with gamma-ray bursts are solved. 42 refs

  10. Path integral for relativistic particle theory

    International Nuclear Information System (INIS)

    Fradkin, E.S.; Gitman, D.M.; Shvartsman, Sh.M.

    1990-06-01

    An action for a relativistic spinning particle interacting with external electromagnetic field is considered in reparametrization and local supergauge invariant form. It is shown that various path integral representations derived for the causal Green function correspond to the different forms of the relativistic particle action. The analogy of the path integral derived with the Lagrangian path integral of the field theory is discussed. It is shown that to obtain the causal propagator, the integration over the null mode of the Lagrangian multiplier corresponding to the reparametrization invariance, has to be performed in the (0,+infinity) limits. (author). 23 refs

  11. Relativistic effects in a rotating coordinate system

    International Nuclear Information System (INIS)

    Chugreev, Y.V.

    1989-01-01

    The general approach to calculating various physical effects in a rotating, noninertial reference frame based on the tetrad formalism for observables is discussed. It is shown that the method based on the search for the ''true'' coordinate transformation from an inertial to the rotating frame is ill-founded. Most special relativistic effects in a rotating frame have been calculated without any nonrelativistic restrictions. It is shown how simple physical experiments can be used to determine whether a circle is at rest in the equatorial plane of a Kerr--Newman gravitational source in the relativistic theory of gravity or is rotating about an axis through its center

  12. Impossibility of an acyclic relativistic electric motor

    Energy Technology Data Exchange (ETDEWEB)

    Spavieri, G [Universidad de Los Andes, Merida (Venezuela); Cavalleri, G [Milan Univ. (Italy). Ist. di Fisica; Spinelli, G [Padua Univ. (Italy). Ist. di Matematica Applicata

    1981-02-11

    The relativistic torque acting on a circuit carrying a current and having a uniform translatory motion in a constant and uniform electric field would seem to suggest the possibility of an acyclic relativistic electric motor. However, the net effect on the side parallel to the rotation axis is exactly balanced by the variation of the angular momentum (in the case of an insulating circuit transporting electric charges) or by the external moment due to the magnetic field (in the case of a conducting circuit) acting on the two sides perpendicular to the rotation axis.

  13. Relativistic multiple scattering X-alpha calculations

    International Nuclear Information System (INIS)

    Chermette, H.; Goursot, A.

    1986-01-01

    The necessity to include self-consistent relativistic corrections in molecular calculations has been pointed out for all compounds involving heavy atoms. Most of the changes in the electronic properties are due to the mass-velocity and the so-called Darwin terms so that the use of Wood and Boring's Hamiltonian is very convenient for this purpose as it can be easily included in MSXalpha programs. Although the spin orbit operator effects are only obtained by perturbation theory, the results compare fairly well with experiment and with other relativistic calculations, namely Hartree-Fock-Slater calculations

  14. Relativistic tunneling through two successive barriers

    International Nuclear Information System (INIS)

    Lunardi, Jose T.; Manzoni, Luiz A.

    2007-01-01

    We study the relativistic quantum mechanical problem of a Dirac particle tunneling through two successive electrostatic barriers. Our aim is to study the emergence of the so-called generalized Hartman effect, an effect observed in the context of nonrelativistic tunneling as well as in its counterparts and which is often associated with the possibility of superluminal velocities in the tunneling process. We discuss the behavior of both the phase (or group) tunneling time and the dwell time, and show that in the limit of opaque barriers the relativistic theory also allows the emergence of the generalized Hartman effect. We compare our results with the nonrelativistic ones and discuss their interpretation

  15. Relativistic klystron research for high gradient accelerators

    International Nuclear Information System (INIS)

    Allen, M.A.; Callin, R.S.; Deruyter, H.

    1988-06-01

    Relativistic klystrons are being developed as a power source for high gradient accelerator applications which include large linear electron--positron colliders, compact accelerators, and FEL sources. We have attained 200MW peak power at 11.4 GHz from a relativistic klystron, and 140 MV/m longitudinal gradient in a short 11.4 GHz accelerator section. We report here on the design of our first klystrons, the results of our experiments so far, and some of our plans for the near future. 5 refs., 7 figs

  16. Relativistic Celestial Mechanics of the Solar System

    CERN Document Server

    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

  17. Constraints on the cosmological relativistic energy density

    International Nuclear Information System (INIS)

    Zentner, Andrew R.; Walker, Terry P.

    2002-01-01

    We discuss bounds on the cosmological relativistic energy density as a function of redshift, reviewing the big bang nucleosynthesis and cosmic microwave background bounds, updating bounds from large scale structure, and introducing a new bound from the magnitude-redshift relation for type Ia supernovae. We conclude that the standard and well-motivated assumption that relativistic energy is negligible during recent epochs is not necessitated by extant data. We then demonstrate the utility of these bounds by constraining the mass and lifetime of a hypothetical massive big bang relic particle

  18. Cosmic anisotropy with reduced relativistic gas

    Energy Technology Data Exchange (ETDEWEB)

    Castardelli dos Reis, Simpliciano [Universidade Federal de Juiz de Fora, Departamento de Fisica, ICE, Juiz de Fora, MG (Brazil); Shapiro, Ilya L. [Universidade Federal de Juiz de Fora, Departamento de Fisica, ICE, Juiz de Fora, MG (Brazil); Tomsk State Pedagogical University, Tomsk (Russian Federation); Tomsk State University, Tomsk (Russian Federation)

    2018-02-15

    The dynamics of cosmological anisotropies is investigated for Bianchi type I universe filled by a relativistic matter represented by the reduced relativistic gas model (RRG), with equation of state interpolating between radiation and matter. Previously it was shown that the interpolation is observed in the background cosmological solutions for homogeneous and isotropic universe and also for the linear cosmological perturbations. We extend the application of RRG to the Bianchi type I anisotropic model and find that the solutions evolve to the isotropic universe with the pressureless matter contents. (orig.)

  19. Relativistic deuteron wave function on light front

    International Nuclear Information System (INIS)

    Karmanov, V.A.

    1980-01-01

    In the framework of the one boson exchange model the approximate analytical expression for the deuteron wave function (WF) at relativistic relative momenta is obtained. WF depends on extra variable having the form of a unit vector and is determined by six functions instead of two ones (S-and D-waves) in the nonrelativistic case. At moderate momenta the WF is matched with WF in the Reid model. It is emphasized the importance of indication of the qualitative observed phenomena associated with change of parametrization and spin structure of relativistic deuteron WF

  20. Thermodynamic equilibrium in relativistic rotating systems

    International Nuclear Information System (INIS)

    Suen, W.M.; Washington Univ., St. Louis, MO; Young, K.

    1988-01-01

    The thermodynamic equilibrium configurations of relativistic rotating stars are studied using the maximum entropy principle. It is shown that the heuristic arguments for the equilibrium conditions can be developed into a maximum entropy principle in which the variations are carried out in a fixed background spacetime. This maximum principle with the fixed background assumption is technically simpler than, but has to be justified by, a maximum entropy principle without the assumption. Such a maximum entropy principle is formulated in this paper, showing that the general relativistic system can be treated on the same footing as other long-range force systems. (author)

  1. Relativistic classical limit of quantum theory

    International Nuclear Information System (INIS)

    Shin, G.R.; Rafelski, J.

    1993-01-01

    We study the classical limit of the equal-time relativistic quantum transport theory. We discuss in qualitative terms the need to fold first the Wigner function with a coarse-graining function. Only then does the singularity at ℎ→0 seem to be manageable. In the limit ℎ→0, we obtain the relativistic Vlasov equations for the particle and the antiparticle sector of the Fock space. Similarly, we address the evolution equations of the spin and the magnetic-moment density

  2. Is a Relativistic Thermodynamics possible?; Es posible una Termodinamica Relativista?

    Energy Technology Data Exchange (ETDEWEB)

    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.

  3. Relativistic effects in the Thomas--Fermi atom

    International Nuclear Information System (INIS)

    Waber, J.T.; Canfield, J.M.

    1975-01-01

    Two methods of applying relativistic corrections to the Thomas--Fermi atom are considered, and numerical calculations are discussed. Radial charge distributions calculated from a relativistic Thomas--Fermi equation agree in gross form with those from more complicated self-consistent calculations. Energy eigenvalues for mercury, as determined from the relativistic Thomas--Fermi solution, are compared with other calculated and experimental values

  4. An investigation of relativistic microscopic optical potential in terms of relativistic Brueckner-Bethe-Goldstone equation

    International Nuclear Information System (INIS)

    Chen Baoqiu; Ma Zhongyu

    1992-01-01

    Relativistic microscopic optical potential of nucleon-nucleus is derived from the relativistic Brueckner-Bethe-Goldstone (RBBG) equation. The complex effective mass of a nucleon is determined by a fit to 200 MeV p- 40 Ca scattering data. The relativistic microscopic optical potentials with this effective mass are obtained from RBBG for p- 16O , 40 Ca, 90 Zr and 208 Pb scattering in energy range from 160 to 800 MeV. The microscopic optical potential is used to study the proton- 40 Ca scattering problem at 200 MeV. The results, such as differential cross section, analyzing power and spin rotation function are compared with those calculated from phenomenological relativistic optical potential

  5. The projective geometry of the spacetime yielded by relativistic positioning systems and relativistic location systems

    OpenAIRE

    Rubin , Jacques ,

    2014-01-01

    Version de travail de thèse d'habilitation à diriger des recherches; Preprint; Current positioning systems are not primary, relativistic systems. Nevertheless, genuine, relativistic and primary positioning systems have been proposed recently by Bahder, Coll et al. and Rovelli to remedy such prior defects. These new designs all have in common an equivariant conformal geometry featuring, as the most basic ingredient, the spacetime geometry. We show how this conformal aspect can be the four-dime...

  6. Polarizational bremsstrahlung in non-relativistic collisions

    International Nuclear Information System (INIS)

    Korol, A.V.; Solov'yov, A.V.

    2006-01-01

    We review the developments made during the last decade in the theory of polarization bremsstrahlung in the non-relativistic domain. A literature survey covering the latest history of the phenomenon is given. The main features which distinguish the polarization bremsstrahlung from other mechanisms of radiation are discussed and illustrated by the results of numerical calculations

  7. New interior solution describing relativistic fluid sphere

    Indian Academy of Sciences (India)

    Anewexact solution of embedding class I is presented for a relativistic anisotropicmassive fluid sphere. The new exact solution satisfies Karmarkar condition, is well-behaved in all respects, and therefore is suitable for the modelling of superdense stars. Consequently, using this solution, we have studied in detail two ...

  8. Circular relativistic motion of two identical bodies

    International Nuclear Information System (INIS)

    Shavokhina, N.S.

    1983-01-01

    Circular relativistic motion of two bodies as a solution of the earlier obtained equations with a deflecting argument where the self-deflection of the argument is an unknown function of time is considered. In case of circular motion the argument deflection is independent from time and it is the root of the transcendental equation obtained in the paper

  9. Properties of general relativistic kink solution

    International Nuclear Information System (INIS)

    Kodama, T.; Oliveira, L.C.S. de; Santos, F.C.

    1978-12-01

    Properties of the general relativistic kink solution of a nonlinear scalar field recently obtained, are discussed. It has been shown that the kink solution is stable against radical perturbations. Possible applications to Hadron physics from the geometrodynamic point of view are suggested [pt

  10. Some remarks concerning relativistic kinetic theory

    International Nuclear Information System (INIS)

    Schroeter, J.

    1990-01-01

    The starting point of our investigation is a classical kinetic theory which includes correlational effects as well as the complete electromagnetic interaction. Also classical gravitation can be incorporated. The relativistic version of this theory is written down using some heuristic arguments. Its essential feature is the difference between terms representing gravitational interaction and the metric tensor representing geometrical properties. (author)

  11. Dirac's aether in relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Petroni, N.C.; Bari Univ.; Vigier, J.P.

    1984-01-01

    The paper concerns Dirac's aether model, based on a stochastic covariant distribution of subquantum motions. Stochastic derivation of the relativistic quantum equations; deterministic nonlocal interpretation of the Aspect-Rapisarda experiments on the EPR paradox; and photon interference with itself; are all discussed. (U.K.)

  12. Radio Ranging Techniques to test Relativistic Gravitation

    OpenAIRE

    Cowsik, R.

    1999-01-01

    It is suggested that modern techniques of radio ranging when applied to study the motion of the Moon, can improve the accuracy of tests of relativistic gravitation obtained with currently operating laser ranging techniques. Other auxillary information relevant to the Solar system would also emerge from such a study.

  13. Detectors for relativistic heavy-ion experiments

    International Nuclear Information System (INIS)

    Braun-Munzinger, P.; Cleland, W.; Young, G.R.

    1989-04-01

    We present in some detail an overview of the detectors currently used in relativistic heavy-ion research at the BNL AGS and the CERN SPS. Following that, a detailed list of RandD projects is given, including specific areas of work which need to be addressed in preparation for further experiments at the AGS and SPS for the upcoming experiments at RHIC

  14. Consistent resolution of some relativistic quantum paradoxes

    International Nuclear Information System (INIS)

    Griffiths, Robert B.

    2002-01-01

    A relativistic version of the (consistent or decoherent) histories approach to quantum theory is developed on the basis of earlier work by Hartle, and used to discuss relativistic forms of the paradoxes of spherical wave packet collapse, Bohm's formulation of the Einstein-Podolsky-Rosen paradox, and Hardy's paradox. It is argued that wave function collapse is not needed for introducing probabilities into relativistic quantum mechanics, and in any case should never be thought of as a physical process. Alternative approaches to stochastic time dependence can be used to construct a physical picture of the measurement process that is less misleading than collapse models. In particular, one can employ a coarse-grained but fully quantum-mechanical description in which particles move along trajectories, with behavior under Lorentz transformations the same as in classical relativistic physics, and detectors are triggered by particles reaching them along such trajectories. States entangled between spacelike separate regions are also legitimate quantum descriptions, and can be consistently handled by the formalism presented here. The paradoxes in question arise because of using modes of reasoning which, while correct for classical physics, are inconsistent with the mathematical structure of quantum theory, and are resolved (or tamed) by using a proper quantum analysis. In particular, there is no need to invoke, nor any evidence for, mysterious long-range superluminal influences, and thus no incompatibility, at least from this source, between relativity theory and quantum mechanics

  15. Production of hypernuclei in relativistic ion beams

    International Nuclear Information System (INIS)

    Bando, H.; Sano, M.; Wakai, M.; Zofka, J.

    1988-05-01

    The hypernuclear formation in collisions of relativistic beams of 4 He, 7 Li, 12 C and 19 F with target of 12 C is calculated at energies used in the recent Dubna experiment. The hyperfragments optimal for observation are pointed out and the secondary (π + K + ) formation is evaluated and found to be nonnegligible. (author)

  16. Relativistic atomic physics at the SSC

    International Nuclear Information System (INIS)

    1990-01-01

    This report discusses the following proposed work for relativistic atomic physics at the Superconducting Super Collider: Beam diagnostics; atomic physics research; staffing; education; budget information; statement concerning matching funds; description and justification of major items of equipment; statement of current and pending support; and assurance of compliance

  17. Liouville equation of relativistic charged fermion

    International Nuclear Information System (INIS)

    Wang Renchuan; Zhu Dongpei; Huang Zhuoran; Ko Che-ming

    1991-01-01

    As a form of density martrix, the Wigner function is the distribution in quantum phase space. It is a 2 X 2 matrix function when one uses it to describe the non-relativistic fermion. While describing the relativistic fermion, it is usually represented by 4 x 4 matrix function. In this paper authors obtain a Wigner function for the relativistic fermion in the form of 2 x 2 matrix, and the Liouville equation satisfied by the Wigner function. this equivalent to the Dirac equation of changed fermion in QED. The equation is also equivalent to the Dirac equation in the Walecka model applied to the intermediate energy nuclear collision while the nucleon is coupled to the vector meson only (or taking mean field approximation for the scalar meson). Authors prove that the 2 x 2 Wigner function completely describes the quantum system just the same as the relativistic fermion wave function. All the information about the observables can be obtained with above Wigner function

  18. Electromagnetic processes in relativistic heavy ion collisions

    International Nuclear Information System (INIS)

    Bertulani, C.A.; Rio de Janeiro Univ.

    1987-05-01

    A study of the processes generated by the electromagnetic interaction in relativistic nuclear, and atomic collisions is presented. Very strong electromagnetic fields for a very short time are present in distant collisions with no nuclear contact. Such fields can also lead to interesting effects, which are discussed here. (orig.)

  19. RELATIVISTIC HEAVY ION PHYSICS: A THEORETICAL OVERVIEW.

    Energy Technology Data Exchange (ETDEWEB)

    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.

  20. Classroom computer animations of relativistic objects

    OpenAIRE

    Brewin, Leo

    2003-01-01

    This is a short note to announce the availability of some movies that may be useful in classroom discussions on the photographic appearance of objects moving at relativistic speeds. The images are based on special relativity with no account taken of (other than to ignore) the effects of doppler shifts, intensity shifts or gravitational effects.

  1. Radiatively-driven general relativistic jets

    Indian Academy of Sciences (India)

    Mukesh K. Vyas

    2018-02-10

    Feb 10, 2018 ... relativistic jets and shocks induced by non radial nature of the cross section. Isothermal assumption does not contain the effect of the thermal gradient term which is a significant accelerating agent and is very effec- tive close to the BH. It is also the same region where one needs to consider the effects of ...

  2. Introduction to impedance for short relativistic bunches

    International Nuclear Information System (INIS)

    Morton, P.L.

    1993-02-01

    The purpose of this paper is to introduce the concept of impedance to calculate the wake field forces left behind by a short bunch which travels at relativistic speed through a structure with discontinuities. We will try to be as intuitive as possible and leave the more rigorous derivations to the second paper on this subject by J. Wang

  3. Summary of the Relativistic Heavy Ion Sessions

    International Nuclear Information System (INIS)

    Harris, J.W.

    1988-07-01

    This paper briefly discusses the topics covered in the relativistic heavy ion in sessions. The prime motivation for these investigations is the possibility of forming quark matter, therefore the formation of a quark-gluon plasma. Topics on suppression of J//psi/ production, th equation of state of nuclear matter, transverse energy distributions and two pion interferometry techniques are discussed. 38 refs

  4. Detector issues for relativistic heavy ion experimentation

    International Nuclear Information System (INIS)

    Gordon, H.

    1986-04-01

    Several aspects of experiments using relativistic heavy ion beams are discussed. The problems that the current generation of light ion experiments would face in using gold beams are noted. A brief review of colliding beam experiments for heavy ion beams is contrasted with requirements for SSC detectors. 11 refs., 13 figs

  5. Global existence proof for relativistic Boltzmann equation

    International Nuclear Information System (INIS)

    Dudynski, M.; Ekiel-Jezewska, M.L.

    1992-01-01

    The existence and causality of solutions to the relativistic Boltzmann equation in L 1 and in L loc 1 are proved. The solutions are shown to satisfy physically natural a priori bounds, time-independent in L 1 . The results rely upon new techniques developed for the nonrelativistic Boltzmann equation by DiPerna and Lions

  6. Strong-coupling diffusion in relativistic systems

    Indian Academy of Sciences (India)

    hanced values needed to interpret the data at higher energies point towards the importance of strong-coupling effects. ... when all secondary particles have been created. For short times in the initial phase ... It is decisive for a proper representation of the available data for relativistic heavy-ion collisions at and beyond SPS.

  7. Solutions to the relativistic precession model

    NARCIS (Netherlands)

    Ingram, A.; Motta, S.

    2014-01-01

    The relativistic precession model (RPM) can be used to obtain a precise measurement of the mass and spin of a black hole when the appropriate set of quasi-periodic oscillations is detected in the power-density spectrum of an accreting black hole. However, in previous studies, the solution of the RPM

  8. Shock waves in relativistic nuclear matter, I

    International Nuclear Information System (INIS)

    Gleeson, A.M.; Raha, S.

    1979-02-01

    The relativistic Rankine-Hugoniot relations are developed for a 3-dimensional plane shock and a 3-dimensional oblique shock. Using these discontinuity relations together with various equations of state for nuclear matter, the temperatures and the compressibilities attainable by shock compression for a wide range of laboratory kinetic energy of the projectile are calculated. 12 references

  9. Asymptotic waves in relativistic elastic media

    International Nuclear Information System (INIS)

    Lamoureux, Lise

    1974-01-01

    Since 1959 several authors have proposed constitutive laws for relativistic media, i.e. laws relating the stress tensor to the speed vector or the deformation tensor. There the law proposed by Synge will be used: The stress rate tensor is a linear function of the deformation rate tensor. This is the generalisation of Hooke's law, used in classical mechanics for hypoelastic media [fr

  10. Workshop on gravitational waves and relativistic astrophysics

    Indian Academy of Sciences (India)

    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 ...

  11. Relativistic corrections to the quarkonium decays

    International Nuclear Information System (INIS)

    Rai, Ajay Kumar; Pandya, J.N.; Patel, Bhavin; Vinodkumar, P.C.

    2007-01-01

    We study the corrections of the relative order ν 4 to the decays of 1 S 0 heavy quarkonium (η c and η b ) into two photons and 3 S 1 heavy quarkonium (J/ψ and γ) into lepton pair in non-relativistic QCD formalism

  12. Relativistic magnetohydrodynamics as a Hamiltonian system

    International Nuclear Information System (INIS)

    Holm, D.D.; Kupershmidt, A.

    1985-01-01

    The equations of ideal relativistic magnetohydrodynamics in the laboratory frame form a noncanonical Hamiltonian system with the same Poisson bracket as for the nonrelativistic system, but with dynamical variables and Hamiltonian obtained via a regular deformation of their nonrelativistic counterparts [fr

  13. Heavy baryons in the relativistic quark model

    International Nuclear Information System (INIS)

    Ebert, D.; Faustov, R.N.; Galkin, V.O.; Martynenko, A.P.; Saleev, V.A.

    1996-07-01

    In the framework of the relativistic quasipotential quark model the mass spectrum of baryons with two heavy quarks is calculated. The quasipotentials for interactions of two quarks and of a quark with a scalar and axial vector diquark are evaluated. The bound state masses of baryons with J P =1/2 + , 3/2 + are computed. (orig.)

  14. Relativistic atomic structure: past, present and future

    International Nuclear Information System (INIS)

    Grant, I P

    2010-01-01

    Developments in a relativistic atomic structure have been driven by a combination of advances in experimental methods, in the theory of quantum electrodynamics, in numerical algorithms, computer hardware and software. Today's programs are still in many respects 'legacy codes' containing many features going back nearly half a century. It is time for a rethink.

  15. On free fall of a relativistic particle

    International Nuclear Information System (INIS)

    Chernikov, N.A.; Paramonova, N.N.; Shavokhina, N.S.

    2005-01-01

    The free fall of a relativistic particle is considered: the well-known fact of the light velocity constancy is taken into account in the Galilean problem about the movement of a particle from nongravitational forces and its fall onto the ground. The velocity hodograph and the world line of the particle are found

  16. Optimized non relativistic potential for quarkonium

    International Nuclear Information System (INIS)

    Rekab, S.; Zenine, N.

    2006-01-01

    For non relativistic quarkonia description, we consider a wide class of quark antiquark potentials in the form of power law. A systematic study is made by optimizing the potential parameters with a fit on quarkonia vector mesons that lie below the threshold for strong decays. Implications of the obtained results are discussed

  17. Instabilities in a Relativistic Viscous Fluid

    Science.gov (United States)

    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

  18. Relativistic generalization of the Newtonian force

    International Nuclear Information System (INIS)

    Qadir, A.; Quamar, J.

    1982-06-01

    Whereas there is no denying the essential contribution of geometrodynamics, it must be admitted that our physical intuition is still firmly based in the Newtonian concept of force. Here we extend some earlier work re-introducing the Newtonian force concept into relativity theory. Some fundamentally new insights into the relativistic effects due to charge and rotation are presented. (author)

  19. Relativistic Boltzmann theory for a plasma. II

    International Nuclear Information System (INIS)

    Erkelens, H. van; Leeuwen, W.A. van

    1977-01-01

    The linear or phenomenological laws such as Ohm's law, Fourier's law and Fick's law are derived for a relativistic plasma in an electromagnetic field. It is shown that the choice of a reference frame as proposed by Landau and Lifshitz entails - in contrast to, for instance, the choice of Eckart - the validity of Onsager's reciprocity relations. (Auth.)

  20. Relativistic rapprochement of electromagnetic and strong interactions

    International Nuclear Information System (INIS)

    Strel'tsov, V.N.

    1995-01-01

    On the basis of the Lienard-Wiechert potential and the relativistic Yukawa potential it is shown that the corresponding interactions with velocity growth increase differently (the electromagnetic one increases faster). According to preliminary estimations they are equivalent, at distances of the 'action radius' of nuclear forces, at γ≅ 960, where γ is the Lorentz factor. 2 refs

  1. Relativistic rotation and the anholonomic object

    International Nuclear Information System (INIS)

    Corum, J.F.

    1977-01-01

    The purpose of this communication is to call attention to the conceptual economy provided by the object of anholonomity for the theory of relativity. This geometric object expresses certain consequences of relativity theory and provides a single, simple framework for discussing a variety of phenomena. It particularly clarifies the description of relativistic rotation. The relativistic rotational transformation of the four coordinate differentials of flat space--time generates a set of anholonomic, or inexact differentials, whose duals are an orthogonal set of basis vectors. How should a rotating observer interpret physical events referred to such orthogonal, but anholonomic frames The answer to this question rests upon the origin and physical significance of the object of anholonomity. It is demonstrated that not only is the rotational Lorentz transformation an anholonomic transformation, but that the intrinsic anholonomic effects are essential to interpreting rotational phenomena. In particular, the Sagnac effect may be interpreted as the physical manifestation of temporal anholonomity under rotation. The Thomas precession of a reference axis may be interpreted as a consequence of the spatial anholonomity of the rotating frame. Further, the full four-dimensional covariance of Maxwellian electrodynamics, under a relativistic Lorentz rotation, is possible only with the inclusion of anholonomic effects. The anholonomic approach clarifies the distinction between the physically different operations of source rotation and observer rotation in a flat space--time. It is finally concluded that a consistant theory of relativistic rotation, satisfying the principle of general covariance, inherently requires the presence of the object of anholonomity

  2. Balance equations for a relativistic plasma. Pt. 1

    International Nuclear Information System (INIS)

    Hebenstreit, H.

    1983-01-01

    Relativistic power moments of the four-momentum are decomposed according to a macroscopic four-velocity. The thus obtained quantities are identified as relativistic generalization of the nonrelativistic orthogonal moments, e.g. diffusion flow, heat flow, pressure, etc. From the relativistic Boltzmann equation we then derive balance equations for these quantities. Explicit expressions for the relativistic mass conservation, energy balance, pressure balance, heat flow balance are presented. The weak relativistic limit is discussed. The derivation of higher order balance equations is sketched. (orig.)

  3. Relativistic decay widths of autoionization processes: The relativistic FanoADC-Stieltjes method

    Energy Technology Data Exchange (ETDEWEB)

    Fasshauer, Elke, E-mail: Elke.Fasshauer@uit.no [Centre for Theoretical and Computational Chemistry, Department of Chemistry, University of Tromsø–The Arctic University of Norway, N-9037 Tromsø (Norway); Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany); Kolorenč, Přemysl [Institute of Theoretical Physics, Faculty of Mathematics and Physics, Charles University in Prague, V Holešovičkách 2, 180 00 Prague (Czech Republic); Pernpointner, Markus [Theoretische Chemie, Universität Heidelberg, Im Neuenheimer Feld 229, D-69120 Heidelberg (Germany)

    2015-04-14

    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{sup −1}, Xe4d{sup −1}, and Rn5d{sup −1} ionization. Based on the results, we show a pronounced influence of mainly scalar-relativistic effects on the decay widths of autoionization processes.

  4. Study of quantum spin correlations of relativistic electron pairs - Testing nonlocality of relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Bodek, K.; Rozpędzik, D.; Zejma, J.; Caban, P.; Rembieliński, J.; Włodarczyk, M.; Ciborowski, J.; Enders, J.; Köhler, A.; Kozela, A.

    2013-01-01

    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

  5. Relativistic quantum similarities in atoms in position and momentum spaces

    International Nuclear Information System (INIS)

    Maldonado, P.; Sarsa, A.; Buendia, E.; Galvez, F.J.

    2011-01-01

    A study of different quantum similarity measures and their corresponding quantum similarity indices is carried out for the atoms from H to Lr (Z=1-103). Relativistic effects in both position and momentum spaces have been studied by comparing the relativistic values to the non-relativistic ones. We have used the atomic electron density in both position and momentum spaces obtained within relativistic and non-relativistic numerical-parameterized optimized effective potential approximations. -- Highlights: → Quantum similarity measures and indices in electronic structure of atoms. → Position and momentum electronic densities. → Similarity of relativistic and non-relativistic densities. → Similarity of core and valence regions of different atoms. → Dependence with Z along the Periodic Table.

  6. Leading order relativistic chiral nucleon-nucleon interaction

    Science.gov (United States)

    Ren, Xiu-Lei; Li, Kai-Wen; Geng, Li-Sheng; Long, Bingwei; Ring, Peter; Meng, Jie

    2018-01-01

    Motivated by the successes of relativistic theories in studies of atomic/molecular and nuclear systems and the need for a relativistic chiral force in relativistic nuclear structure studies, we explore a new relativistic scheme to construct the nucleon-nucleon interaction in the framework of covariant chiral effective field theory. The chiral interaction is formulated up to leading order with covariant power counting and a Lorentz invariant chiral Lagrangian. We find that the relativistic scheme induces all six spin operators needed to describe the nuclear force. A detailed investigation of the partial wave potentials shows a better description of the {}1S0 and {}3P0 phase shifts than the leading order Weinberg approach, and similar to that of the next-to-leading order Weinberg approach. For the other partial waves with angular momenta J≥slant 1, the relativistic results are almost the same as their leading order non-relativistic counterparts. )

  7. RANKINE-HUGONIOT RELATIONS IN RELATIVISTIC COMBUSTION WAVES

    International Nuclear Information System (INIS)

    Gao Yang; Law, Chung K.

    2012-01-01

    As a foundational element describing relativistic reacting waves of relevance to astrophysical phenomena, the Rankine-Hugoniot relations classifying the various propagation modes of detonation and deflagration are analyzed in the relativistic regime, with the results properly degenerating to the non-relativistic and highly relativistic limits. The existence of negative-pressure downstream flows is noted for relativistic shocks, which could be of interest in the understanding of the nature of dark energy. Entropy analysis for relativistic shock waves is also performed for relativistic fluids with different equations of state (EoS), denoting the existence of rarefaction shocks in fluids with adiabatic index Γ < 1 in their EoS. The analysis further shows that weak detonations and strong deflagrations, which are rare phenomena in terrestrial environments, are expected to exist more commonly in astrophysical systems because of the various endothermic reactions present therein. Additional topics of relevance to astrophysical phenomena are also discussed.

  8. Combustion Stratification for Naphtha from CI Combustion to PPC

    KAUST Repository

    Vallinayagam, R.; Vedharaj, S.; An, Yanzhao; Dawood, Alaaeldin; Izadi Najafabadi, Mohammad; Somers, Bart; Johansson, Bengt

    2017-01-01

    This study demonstrates the combustion stratification from conventional compression ignition (CI) combustion to partially premixed combustion (PPC). Experiments are performed in an optical CI engine at a speed of 1200 rpm for diesel and naphtha (RON

  9. The configuration-driven table CI method and comparison with integral-driven CI procedures

    International Nuclear Information System (INIS)

    Buenker, R.J.

    1980-01-01

    A new configuration-driven CI algorithm is outlined which eliminates the need for explicit comparison of pairs of Slater determinants through the use of a series of compact tables. In this scheme each pair of configurations is either shown to be non-interacting or to fall into one of nine cases, each of which is characterized fully once certain orbital permutations are determined. The program is divided into three parts: a case structure analysis step including integral label generation, a sort of the required electron repulsion integrals, and finally a procedure in which the foregoing information is combined with tabulated directions for the evaluation of the necessary Hamiltonian matrix elements over spin-adapted functions. Timing improvements of up to more than a factor of four have been achieved with the new algorithm

  10. Calculations of chemisorption of hydrogen and nitrogen on titanium using Xα-SW and SCF-CI methods

    International Nuclear Information System (INIS)

    Hung, S.C.

    1983-01-01

    Two theoretical studies are used as examples of chemisorption on transition metal surfaces. The first calculation employs the SCF-Sα-SW method to determine the electronic structures of several close-packed Ti-Ti and Ti-H systems. The relative importance of Ti s, p, and electron bonding to its Ti neighbors and to H are reported. The roles of the d electrons in the Ti-Ti and Ti-H bond are discussed. The effect of the presence of an H atom on the first few layers of the metal is also studied. The second set of calculations employs the Hartree-Fock-Roothaan SCF formulation supplemented by configuration-interaction (CI) to determine the energetics of adsorption of an N 2 molecule at a Ti surface. These calculations are made tractable by using a Ti core potential and by a unitary localization transformation to define a local surface region of localized lattice plus adsorbate orbitals. The results show that an underlayer of N atoms forms at the octahedral sites. The calculated adsorption energy of 115 kcal/mole compares favorably with experiment. Binding energy contributions in the several successive steps of the calculations are discussed. Eigenvalue spectra for the selected lattice-adsorbate geometries are compared to the UPS experimental data

  11. Anomalous magnetohydrodynamics in the extreme relativistic domain

    CERN Document Server

    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...

  12. Relativistic nuclear physics with the spectator model

    International Nuclear Information System (INIS)

    Gross, F.

    1988-01-01

    The spectator model, a general approach to the relativistic treatment of nuclear physics problems in which spectators to nuclear interactions are put on their mass-shell, will be defined nd described. The approach grows out of the relativistic treatment of two and three body systems in which one particle is off-shell, and recent numerical results for the NN interaction will be presented. Two meson-exchange models, one with only 4 mesons (π, σ, /rho/, ω) but with a 25% admixture of γ 5 coupling for the pion, and a second with 6 mesons (π, σ, /rho/, ω, δ, and /eta/) but a pure γ 5 γ/sup mu/ pion coupling, are shown to give very good quantitative fits to NN scattering phase shifts below 400 MeV, and also a good description of the /rho/ 40 Cα elastic scattering observables. 19 refs., 6 figs., 1 tab

  13. Relativistic klystrons for high-gradient accelerators

    International Nuclear Information System (INIS)

    Westenskow, G.A.; Aalberts, D.P.; Boyd, J.K.; Deis, G.A.; Houck, T.L.; Orzechowski, T.J.; Ryne, R.D.; Yu, S.S.; Allen, M.A.; Callin, R.S.; Deruyter, H.; Eppley, K.R.; Fant, K.S.; Fowkes, W.R.; Hoag, H.A.; Koontz, R.F.; Lavine, T.L.; Loew, G.A.; Miller, R.H.; Ruth, R.D.; Vlieks, A.E.; Wang, J.W.; Hopkins, D.B.; Sessler, A.M.; Haimson, J.; Mecklenburg, B.

    1991-01-01

    Experimental work is being performed by collaborators at LLNL, SLAC, and LBL to investigate relativistic klystrons as a possible rf power source for future high-gradient accelerators. The authors have learned how to overcome their previously reported problem of high power rf pulse shortening and have achieved peak rf power levels of 330 MW using an 11.4-GHz high-gain tube with multiple output structures. In these experiments the rf pulse is of the same duration as the beam current pulse. In addition, experiments have been performed on two short sections of a high-gradient accelerator using the rf power from a relativistic klystron. An average accelerating gradient of 84 MV/m has been achieved with 80-MW of rf power

  14. Transport theory for relativistic ionized gases

    International Nuclear Information System (INIS)

    Georgiou, A.

    1985-01-01

    The phenomenological non-equilibrium thermodynamics is adapted to the description of relativistic multicomponent plasmas. The general and special forms of matter energy-momentum tensor are given and the physical meaning of the different terms are discussed. A delicate problem of such theories, the contribution of ionized components of plasmas to the electromagnetic energy-momentum tensor is analyzed and illustrated by special examples. The relativistic form of Gibbs equation leads to the balance equation of entropy density. The theory is compared to the nonrelativistic one. The linear transport equations are derived by assuming the linear dependence of currents on deviations. The thermodynamical fluxes and forces are identified and the interference of cross phenomena is discussed. (D.Gy.)

  15. Electromagnetic wave propagation in relativistic magnetized plasmas

    International Nuclear Information System (INIS)

    Weiss, I.

    1985-01-01

    An improved mathematical technique and a new code for deriving the conductivity tensor for collisionless plasmas have been developed. The method is applicable to a very general case, including both hot (relativistic) and cold magnetized plasmas, with only isotropic equilibrium distributions being considered here. The usual derivation starts from the relativistic Vlasov equation and leads to an integration over an infinite sum of Bessel functions which has to be done numerically. In the new solution the integration is carried out over a product of two Bessel functions only. This reduces the computing time very significantly. An added advantage over existing codes is our capability to perform the computations for waves propagating obliquely to the magnetic field. Both improvements greatly facilitate investigations of properties of the plasma under conditions hitherto unexplored

  16. Quadratic hamiltonians and relativistic quantum mechanics

    International Nuclear Information System (INIS)

    Razumov, A.V.; Solov'ev, V.O.; Taranov, A.Yu.

    1981-01-01

    For the case of a charged scalar field described by a quadratic hamiltonian the equivalent relativistic quantum mechanics is constructed in one-particle sector. Complete investigation of a charged relativistic particle motion in the Coulomb field is carried out. Subcritical as well as supercritical cases are considered. In the course of investigation of the charged scalar particle in the Coulomb field the diagonalization of the quadratic hamiltonian describing the charged scalar quantized field interaction with the external Coulomb field has taken place. Mathematically this problem is bound to the construction of self-conjugated expansions of the symmetric operator. The construction of such expansion is necessary at any small external field magnitude [ru

  17. Form of relativistic dynamics with world lines

    International Nuclear Information System (INIS)

    Mukunda, N.; Sudarshan, E.C.G.

    1981-01-01

    In any Hamiltonian relativistic theory there are ten generators of the Poincare group which are realized canonically. The dynamical evolution is described by a Hamiltonian which is one of the ten generators in Dirac's generator formalism. The requirement that the canonical transformations reproduce the geometrical transformation of world points generates the world-line conditions. The Dirac identification of the Hamiltonian and the world-line conditions together lead to the no-interaction theorem. Interacting relativistic theories with world-line conditions should go beyond the Dirac theory and have eleven generators. In this paper we present a constraint dynamics formalism which describes an eleven-generator theory of N interacting particles using 8(N+1) variables with suitable constraints. The (N+1)th pair of four-vectors is associated with the uniform motion of a center which coincides with the center of energy for free particles. In such theories dynamics and kinematics cannot be separated out in a simple fashion

  18. Local supersymmetry in non-relativistic systems

    International Nuclear Information System (INIS)

    Urrutia, L.F.; Zanelli, J.

    1989-10-01

    Classical and quantum non-relativistic interacting systems invariant under local supersymmetry are constructed by the method of taking square roots of the bosonic constraints which generate timelike reparametrization, leaving the action unchanged. In particular, the square root of the Schroedinger constraint is shown to be the non-relativistic limit of the Dirac constraint. Contact is made with the standard models of Supersymmetric Quantum Mechanics through the reformulation of the locally invariant systems in terms of their true degrees of freedom. Contrary to the field theory case, it is shown that the locally invariant systems are completely equivalent to the corresponding globally invariant ones, the latter being the Heisenberg picture description of the former, with respect to some fermionic time. (author). 14 refs

  19. Relativistic quantum chemistry on quantum computers

    DEFF Research Database (Denmark)

    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...

  20. Hydrodynamics of ultra-relativistic bubble walls

    Directory of Open Access Journals (Sweden)

    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.

  1. Hydrodynamics of ultra-relativistic bubble walls

    Energy Technology Data Exchange (ETDEWEB)

    Leitao, Leonardo, E-mail: lleitao@mdp.edu.ar; Mégevand, Ariel, E-mail: megevand@mdp.edu.ar

    2016-04-15

    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.

  2. Relativistic theory of tidal Love numbers

    International Nuclear Information System (INIS)

    Binnington, Taylor; Poisson, Eric

    2009-01-01

    In Newtonian gravitational theory, a tidal Love number relates the mass multipole moment created by tidal forces on a spherical body to the applied tidal field. The Love number is dimensionless, and it encodes information about the body's internal structure. We present a relativistic theory of Love numbers, which applies to compact bodies with strong internal gravities; the theory extends and completes a recent work by Flanagan and Hinderer, which revealed that the tidal Love number of a neutron star can be measured by Earth-based gravitational-wave detectors. We consider a spherical body deformed by an external tidal field, and provide precise and meaningful definitions for electric-type and magnetic-type Love numbers; and these are computed for polytropic equations of state. The theory applies to black holes as well, and we find that the relativistic Love numbers of a nonrotating black hole are all zero.

  3. Meson spectra using relativistic quark models

    International Nuclear Information System (INIS)

    Eggers, M.C.

    1985-01-01

    The complexity of QCD has led to the use of simpler, phenomenological models for hadrons, notably potential models. A short overview of the origin, rationale, merits and demerits of such models is given. Nonrelativistic models and scaling laws are discussed using the WKB technique for illustrative purposes. The failure of nonrelativistic models to describe the lighter mesons motivates the introduction of relativistic equations. Relativistic kinematics are incorporated into a Schroedinger formalism using equations derived by A. Barut, while two-body kinematics are brought into a one-body form via a substitution related to the Todorov equation. The potential used involves a semi-analytic solution to a harmonic oscillator modified by a spin-spin interaction term. The results seem to indicate that such a harmonic oscillator is unsuitable to describe diquark systems adequately

  4. Electroweak interactions in a relativistic Fermi gas

    International Nuclear Information System (INIS)

    Vantournhout, K.; Jachowicz, N.; Ryckebusch, J.

    2006-01-01

    We present a relativistic model for computing the neutrino mean free path in neutron matter. In this model, neutron matter is described as a noninteracting Fermi gas in β equilibrium. We present results for the neutrino mean free path for temperatures of 0 to 50 MeV and a broad range of neutrino energies. We show that relativistic effects cause a considerable enhancement of neutrino-scattering cross sections in neutron matter. The influence of the Q 2 dependence in the electroweak form factors and the inclusion of a weak-magnetic term in the hadron current is discussed. The weak-magnetic term in the hadron current is at the origin of some selective spin dependence for the nucleons that are subject to neutrino interactions

  5. Fundamental relativistic solution for the rail gun

    International Nuclear Information System (INIS)

    Liboff, R.L.; Schenter, G.K.

    1986-01-01

    A fully relativistic analysis is made of the dynamics of a rail gun based on three assumptions: (1) Ohm's law is valid in the rest frame of the plasma, (2) total electron momentum is transferred to the projectile, and (3) motion of the projectile is constrained to one direction. With these assumptions, a relativistic equation for the velocity of the projectile is obtained, whose solution monotonically increases to one of two values depending on field strengths. For B>E, the maximum velocity is cE/B, whereas for E>B it is c, where c is the speed of light, and E and B are applied electric and magnetic fields, respectively (in cgs)

  6. Intense EM filamentation in relativistic hot plasmas

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Qiang-Lin [Department of Physics, Jinggangshan University, Ji' an, Jiangxi 343009 (China); Chen, Zhong-Ping [Department of Physics and Institute for Fusion Studies, The University of Texas at Austin, Austin, TX 78712 (United States); Mahajan, Swadesh M., E-mail: mahajan@mail.utexas.edu [Department of Physics and Institute for Fusion Studies, The University of Texas at Austin, Austin, TX 78712 (United States); Department of Physics, School of Natural Sciences, Shiv Nadar University, Uttar Pradesh 201314 (India)

    2017-03-03

    Highlights: • Breaking up of an intense EM pulse into filaments is a spectacular demonstration of the nonlinear wave-plasma interaction. • Filaments are spectacularly sharper, highly extended and longer lived at relativistic temperatures. • EM energy concentration can trigger new nonlinear phenomena with absolute consequences for high energy density matter. - Abstract: Through 2D particle-in-cell (PIC) simulations, we demonstrate that the nature of filamentation of a high intensity electromagnetic (EM) pulse propagating in an underdense plasma, is profoundly affected at relativistically high temperatures. The “relativistic” filaments are sharper, are dramatically extended (along the direction of propagation), and live much longer than their lower temperature counterparts. The thermally boosted electron inertia is invoked to understand this very interesting and powerful phenomenon.

  7. Quantum theoretical physics is statistical and relativistic

    International Nuclear Information System (INIS)

    Harding, C.

    1980-01-01

    A new theoretical framework for the quantum mechanism is presented. It is based on a strict deterministic behavior of single systems. The conventional QM equation, however, is found to describe statistical results of many classical systems. It will be seen, moreover, that a rigorous synthesis of our theory requires relativistic kinematics. So, QM is not only a classical statistical theory, it is, of necessity, a relativistic theory. The equation of the theory does not just duplicate QM, it indicates an inherent nonlinearity in QM which is subject to experimental verification. It is shown, therefore, that conventional QM is a corollary of classical deterministic principles. It is suggested that this concept of nature conflicts with that prevalent in modern physics. (author)

  8. Relativistic mean field model for entrainment in general relativistic superfluid neutron stars

    International Nuclear Information System (INIS)

    Comer, G.L.; Joynt, R.

    2003-01-01

    General relativistic superfluid neutron stars have a significantly more intricate dynamics than their ordinary fluid counterparts. Superfluidity allows different superfluid (and superconducting) species of particles to have independent fluid flows, a consequence of which is that the fluid equations of motion contain as many fluid element velocities as superfluid species. Whenever the particles of one superfluid interact with those of another, the momentum of each superfluid will be a linear combination of both superfluid velocities. This leads to the so-called entrainment effect whereby the motion of one superfluid will induce a momentum in the other superfluid. We have constructed a fully relativistic model for entrainment between superfluid neutrons and superconducting protons using a relativistic σ-ω mean field model for the nucleons and their interactions. In this context there are two notions of 'relativistic': relativistic motion of the individual nucleons with respect to a local region of the star (i.e. a fluid element containing, say, an Avogadro's number of particles), and the motion of fluid elements with respect to the rest of the star. While it is the case that the fluid elements will typically maintain average speeds at a fraction of that of light, the supranuclear densities in the core of a neutron star can make the nucleons themselves have quite high average speeds within each fluid element. The formalism is applied to the problem of slowly rotating superfluid neutron star configurations, a distinguishing characteristic being that the neutrons can rotate at a rate different from that of the protons

  9. Relativistic duality, and relativistic and radiative corrections for heavy-quark systems

    International Nuclear Information System (INIS)

    Durand, B.; Durand, L.

    1982-01-01

    We give a JWKB proof of a relativistic duality relation which relates an appropriate energy average of the physical cross section for e + e - →qq-bar bound states→hadrons to the same energy average of the perturbative cross section for e + e - →qq-bar. We show that the duality relation can be used effectively to estimate relativistic and radiative corrections for bound-quark systems to order α/sub s//sup ts2/. We also present a formula which relates the square of the ''large'' 3 S 1 Salpeter-Bethe-Schwinger wave function for zero space-time separation of the quarks to the square of the nonrelativistic Schroedinger wave function at the origin for an effective potential which reproduces the relativistic spectrum. This formula allows one to use the nonrelativistic wave functions obtained in potential models fitted to the psi and UPSILON spectra to calculate relativistic leptonic widths for qq-bar states via a relativistic version of the van Royen--Weisskopf formula

  10. Multiple electromagnetic excitations of relativistic projectiles

    International Nuclear Information System (INIS)

    Llope, W.J.; Braun-Munzinger, P.

    1992-01-01

    Conditions optimum for the first experimental verification of the multiplication electromagnetic excitations of nuclei in relativistic nucleus-nucleus collisions are described. The relative magnitudes of three important physical processes that might interfere with such a measurement are compared to the predicted strengths for the single and multiple electromagnetic excitations for various choices of the projectile mass and beam energy. Strategies are presented for making inferences concerning the presence of multiple excitation strength in experimental data

  11. Using MUSIC to study relativistic nuclear collisions

    International Nuclear Information System (INIS)

    1983-01-01

    A large Multiple Sampling Ionization Chamber (MUSIC) has been developed as a part of the Heavy Ion Spectrometer System (HISS). This facility is being used for the study of relativistic nuclear collisions at the Bevalac of Lawrence Berkeley Laboratory. Preliminary data from MUSIC indicate that a charge resolution of one unit should be achieved from Z approximately equal to 7 to Z approximately equal to 100. (author)

  12. Jets in relativistic heavy ion collisions

    International Nuclear Information System (INIS)

    Wang, Xin-Nian; Gyulassy, M.

    1990-09-01

    Several aspects of hard and semihard QCD jets in relativistic heavy ion collisions are discussed, including multiproduction of minijets and the interaction of a jet with dense nuclear matter. The reduction of jet quenching effect in deconfined phase of nuclear matter is speculated to provide a signature of the formation of quark gluon plasma. HIJING Monte Carlo program which can simulate events of jets production and quenching in heavy ion collisions is briefly described. 35 refs., 13 figs

  13. On non-relativistic electron theory

    Energy Technology Data Exchange (ETDEWEB)

    Woolley, R G

    1975-01-01

    A discussion of non-relativistic electron theory, which makes use of the electromagnetic field potentials only as useful working variables in the intermediate stages, is presented. The separation of the (transverse) radiation field from the longitudinal electric field due to the sources is automatic, and as a result, this formalism is often more convenient than the usual Coulomb gauge theory used in molecular physics.

  14. Relativistic impulse approximation and deuteron spin structure

    International Nuclear Information System (INIS)

    Tokarev, M.V.

    1992-01-01

    The fragmentation processes were considered of tensor- and vector-polarized deuterons to protons in the framework of the covariant approach in the light cone variables on the basis of the relativistic deuteron wave function with one nucleon on-mass shell. The experimental verification of predicted dependences of T 20 and K is of interest for the research of the momentum and spin distributions of high momentum deuteron constituents. 21 refs.; 6 figs

  15. General relativistic chaos and nonlinear dynamics

    International Nuclear Information System (INIS)

    Barrow, J.D.

    1982-01-01

    How new ideas in dynamical systems theory find application in the description of general relativistic systems is described. The concept of dynamical entropy is explained and the associated invariant evaluated for the Mixmaster cosmological model. The description of cosmological models as measure preserving dynamical systems leads to a number of interconnections with new ideas in non-linear dynamics. This may provide a new avenue of approach to ascertaining the nature of the general solution to Einstein's equations. (author)

  16. Spreading of a relativistic wave packet

    International Nuclear Information System (INIS)

    Almeida, C.; Jabs, A.

    1983-01-01

    A simple general proof that the spreading velocity of a relativistic free wave packet of the Broglie waves is limited is presented. For a wide class of packets it is confirmed that the limit is the velocity of light, and it is shown how this limit is approached when the width Δp of the wave packet in momentum space tends to infinity and the minimum width σ(t=o) in ordinary space tends to zero. (Author) [pt

  17. On the ambiguity in relativistic tidal deformability

    Science.gov (United States)

    Gralla, Samuel E.

    2018-04-01

    The LIGO collaboration recently reported the first gravitational-wave constraints on the tidal deformability of neutron stars. I discuss an inherent ambiguity in the notion of relativistic tidal deformability that, while too small to affect the present measurement, may become important in the future. I propose a new way to understand the ambiguity and discuss future prospects for reliably linking observed gravitational waveforms to compact object microphysics.

  18. Exchange effects in Relativistic Schroedinger Theory

    International Nuclear Information System (INIS)

    Sigg, T.; Sorg, M.

    1998-01-01

    The Relativistic Schroedinger Theory predicts the occurrence of exchange and overlap effects in many-particle systems. For a 2-particle system, the interaction energy of the two particles consists of two contributions: Coulomb energy and exchange energy, where the first one is revealed to be the same as in standard quantum theory. However the exchange energy is mediated by an exchange potential, contrary to the kinematical origin of the exchange term in the standard theory

  19. Relativistic nuclear photographic emulsion for multilayer piles

    International Nuclear Information System (INIS)

    Bogomolov, K.S.; Romanovskaya, K.M.; Razorenova, I.F.

    1975-01-01

    Nuclear photoemulsion layers having a high sensitivity to relativistic singly charged particles, a high sensitivity stability, time stability of the latent image, as well as a high constancy of the emulsion thickness within the limits of the layer, were developed and fabricated for a large nuclear photoemulsion stack that was exposed in space during the experiments carried out on the artificial earth satellite ''Intercosmos-6''

  20. Electromagnetic wave in a relativistic magnetized plasma

    International Nuclear Information System (INIS)

    Krasovitskiy, V. B.

    2009-01-01

    Results are presented from a theoretical investigation of the dispersion properties of a relativistic plasma in which an electromagnetic wave propagates along an external magnetic field. The dielectric tensor in integral form is simplified by separating its imaginary and real parts. A dispersion relation for an electromagnetic wave is obtained that makes it possible to analyze the dispersion and collisionless damping of electromagnetic perturbations over a broad parameter range for both nonrelativistic and ultrarelativistic plasmas.

  1. Status of the Relativistic Heavy Ion Collider

    International Nuclear Information System (INIS)

    Lee, S.Y.

    1990-01-01

    Accelerator Physics issues, such as the dynamical aperture, the beam lifetime and the current--intensity limitation are carefully studied for the Relativistic Heavy Ion Collider at Brookhaven National Laboratory. The single layer superconducting magnets, of 8 cm coil inner diameter, satisfying the beam stability requirements have also been successfully tested. The proposal has generated wide spread interest in the particle and nuclear physics. 1 ref., 4 figs., 3 tabs

  2. High resolution spectrometry for relativistic heavy ions

    Energy Technology Data Exchange (ETDEWEB)

    Gabor, G; Schimmerling, W; Greiner, D; Bieser, F; Lindstrom, P [California Univ., Berkeley (USA). Lawrence Berkeley Lab.

    1975-12-01

    Several techniques are discussed for velocity and energy spectrometry of relativistic heavy ions with good resolution. A foil telescope with chevron channel plate detectors is described. A test of this telescope was performed using 2.1 GeV/A C/sup 6 +/ ions, and a time-of-flight resolution of 160 ps was measured. Qualitative information on the effect of foil thickness was also obtained.

  3. General relativistic chaos and nonlinear dynamics

    Energy Technology Data Exchange (ETDEWEB)

    Barrow, J D [California Univ., Berkeley (USA). Dept. of Physics

    1982-06-01

    How new ideas in dynamical systems theory find application in the description of general relativistic systems is described. The concept of dynamical entropy is explained and the associated invariant evaluated for the Mixmaster cosmological model. The description of cosmological models as measure preserving dynamical systems leads to a number of interconnections with new ideas in non-linear dynamics. This may provide a new avenue of approach to ascertaining the nature of the general solution to Einstein's equations.

  4. Relativistic electron precipitation in the auroral zone

    International Nuclear Information System (INIS)

    Simons, D.J.

    1975-01-01

    The energy spectra and pitch angle distributions of electrons in the energy range 50 keV to 2 MeV have been determined by a solid state electron energy spectrometer during the Relativistic Electron Precipitation (REP) event of 31 May 1972. The experiment was carried aboard a Nike-Cajun sounding rocket as the University of Maryland component of a joint American-Norwegian (NASA-NDRE) ionospheric investigation. The difficulty of determining the expected electron flux prior to the experiment required an instrument with a large dynamic range. The design and theoretical modeling of this instrument is described in great detail. The electron pitch angle distributions are determined from a knowledge of the rocket aspect and the direction in space of the Earth's magnetic field. The electron fluxes during the REP event were highly variable demonstrating correlated energy, flux and pitch angle pulsations with time periods less than one second. Increases in flux were accompanied by marked filling of the loss cone at lower energies (near 50 keV). Drawing upon the quasilinear equations of plasma wave-electron interactions, a theoretical model for the production of relativistic electrons is proposed. A self consistent set of fully relativistic equations for the evolution of the electron distribution function due to the interaction of the electrons with parallel propagating whistler waves is derived in the Appendix. An examination of these equations leads to the conclusion that at comparatively low background electron densities, the anomalous Doppler resonance leads to the acceleration of near relativistic particles. The results of a computer solution of the five coupled integrodifferential quasilinear equations confirms this conclusion

  5. Heavy baryon spectroscopy with relativistic kinematics

    International Nuclear Information System (INIS)

    Valcarce, A.; Garcilazo, H.; Vijande, J.

    2014-01-01

    We present a comparative Faddeev study of heavy baryon spectroscopy with nonrelativistic and relativistic kinematics. We show results for different standard hyperfine interactions with both kinematics in an attempt to learn about the light quark dynamics. We highlight the properties of particular states accessible in nowadays laboratories that would help in discriminating between different dynamical models. The advance in the knowledge of light quark dynamics is a key tool for the understanding of the existence of exotic hadrons.

  6. Interferometric Measurement of Acceleration at Relativistic Speeds

    Energy Technology Data Exchange (ETDEWEB)

    Christian, Pierre; Loeb, Abraham, E-mail: pchristian@cfa.harvard.edu, E-mail: aloeb@cfa.harvard.edu [Astronomy Department, Harvard University, 60 Garden Street, Cambridge, MA 02138 (United States)

    2017-01-10

    We show that an interferometer moving at a relativistic speed relative to a point source of light offers a sensitive probe of acceleration. Such an accelerometer contains no moving parts, and is thus more robust than conventional “mass-on-a-spring” accelerometers. In an interstellar mission to Alpha Centauri, such an accelerometer could be used to measure the masses of exoplanets and their host stars as well as test theories of modified gravity.

  7. Supersymmetric solutions for non-relativistic holography

    International Nuclear Information System (INIS)

    Donos, Aristomenis; Gauntlett, Jerome P.

    2009-01-01

    We construct families of supersymmetric solutions of type IIB and D=11 supergravity that are invariant under the non-relativistic conformal algebra for various values of dynamical exponent z≥4 and z≥3, respectively. The solutions are based on five- and seven-dimensional Sasaki-Einstein manifolds and generalise the known solutions with dynamical exponent z=4 for the type IIB case and z=3 for the D=11 case, respectively. (orig.)

  8. Magnetized pair Bose gas: relativistic superconductor

    International Nuclear Information System (INIS)

    Daicic, J.; Frankel, N.E.; Kowalenko, V.

    1993-01-01

    The magnetized Bose gas at temperatures above pair threshold is investigated. New magnetization laws are obtained for a wide range of field strengths, and the gas is shown to exhibit the Meissner effect. Some related results for the Fermi gas, a relativistic paramagnet, are also discussed. It is concluded that the pair gases, through the interplay between pair creation, temperature, field strength, statistics and/in the case of fermions/spin, have remarkable magnetic properties. 14 refs

  9. L-shell ionization by relativistic electrons

    International Nuclear Information System (INIS)

    Johnston, P.N.; Spicer, B.M.; Helstroom, R.

    1980-01-01

    Measurements of the relative x-ray production cross-sections Lsub(α)/Lsub(l), Lsub(β)/Lsub(α) and Lsub (γ)/Lsub(α) by relativistic electrons for the heavy elements Gd, Tm, Ta, Au, Pb, Bi and Th have been carried out. The ratios Lsub(β)/Lsub(α) and Lsub(α)/Lsub (l), are compared with previous experimental and theoretical work

  10. Relativistic theory of electron-impact ionization

    International Nuclear Information System (INIS)

    Rosenberg, Leonard

    2010-01-01

    A relativistic version of an earlier, non-relativistic, formulation of the theory of ionization of an atomic system by electron impact is presented. With a time-independent resolvent operator taken as the basis for the dynamics, a wave equation is derived for a system with open channels consisting of two positive-energy electrons in an external field generated by the residual ion. Virtual intermediate states can be accounted for by the effective Hamiltonian that appears in the wave equation and which in principle may be constructed perturbatively. The asymptotic form of the wavefunction, modified by the effects of the long-range Coulomb interactions of the two electrons in the external field, is derived. These electrons are constrained, by projection operators which appear naturally in the theory, to propagate in positive-energy states only. The long-range Coulomb effects take the form of phase factors similar to those that are found in the non-relativistic version of the theory. With the boundary conditions established, an integral identity for the ionization amplitude is derived, and used to set up a distorted-wave Born expansion for the transition amplitude involving Coulomb-modified propagating waves.

  11. Relativistic dynamics, Green function and pseudodifferential operators

    Energy Technology Data Exchange (ETDEWEB)

    Cirilo-Lombardo, Diego Julio [National Institute of Plasma Physics (INFIP), Consejo Nacional de Investigaciones Cientificas y Tecnicas (CONICET), Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires, Ciudad Universitaria, Buenos Aires 1428 (Argentina); Bogoliubov Laboratory of Theoretical Physics, Joint Institute for Nuclear Research, 141980 Dubna (Russian Federation)

    2016-06-15

    The central role played by pseudodifferential operators in relativistic dynamics is known very well. In this work, operators like 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 means of pure theoretical procedures (based in physical concepts and symmetry) the relativistic position operator which satisfies the conditions of integrability: it is a 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 presented and deeply analyzed in this theoretical framework.

  12. Relativistic implications of the quantum phase

    International Nuclear Information System (INIS)

    Low, Stephen G

    2012-01-01

    The quantum phase leads to projective representations of symmetry groups in quantum mechanics. The projective representations are equivalent to the unitary representations of the central extension of the group. A celebrated example is Wigner's formulation of special relativistic quantum mechanics as the projective representations of the inhomogeneous Lorentz group. However, Wigner's formulation makes no mention of the Weyl-Heisenberg group and the hermitian representation of its algebra that are the Heisenberg commutation relations fundamental to quantum physics. We put aside the relativistic symmetry and show that the maximal quantum symmetry that leaves the Heisenberg commutation relations invariant is the projective representations of the conformally scaled inhomogeneous symplectic group. The Weyl-Heisenberg group and noncommutative structure arises directly because the quantum phase requires projective representations. We then consider the relativistic implications of the quantum phase that lead to the Born line element and the projective representations of an inhomogeneous unitary group that defines a noninertial quantum theory. (Understanding noninertial quantum mechanics is a prelude to understanding quantum gravity.) The remarkable properties of this symmetry and its limits are studied.

  13. Localization and Entanglement in Relativistic Quantum Physics

    Science.gov (United States)

    Yngvason, Jakob

    These notes are a slightly expanded version of a lecture presented in February 2012 at the workshop "The Message of Quantum Science—Attempts Towards a Synthesis" held at the ZIF in Bielefeld. The participants were physicists with a wide range of different expertise and interests. The lecture was intended as a survey of a small selection of the insights into the structure of relativistic quantum physics that have accumulated through the efforts of many people over more than 50 years. (Including, among many others, R. Haag, H. Araki, D. Kastler, H.-J. Borchers, A. Wightman, R. Streater, B. Schroer, H. Reeh, S. Schlieder, S. Doplicher, J. Roberts, R. Jost, K. Hepp, J. Fröhlich, J. Glimm, A. Jaffe, J. Bisognano, E. Wichmann, D. Buchholz, K. Fredenhagen, R. Longo, D. Guido, R. Brunetti, J. Mund, S. Summers, R. Werner, H. Narnhofer, R. Verch, G. Lechner, ….) This contribution discusses some facts about relativistic quantum physics, most of which are quite familiar to practitioners of Algebraic Quantum Field Theory (AQFT) [Also known as Local Quantum Physics (Haag, Local quantum physics. Springer, Berlin, 1992).] but less well known outside this community. No claim of originality is made; the goal of this contribution is merely to present these facts in a simple and concise manner, focusing on the following issues: Explaining how quantum mechanics (QM) combined with (special) relativity, in particular an upper bound on the propagation velocity of effects, leads naturally to systems with an infinite number of degrees of freedom (relativistic quantum fields).

  14. On the relativistic calculation of spontaneous emission

    International Nuclear Information System (INIS)

    Boudet, R.

    1993-01-01

    In a recent work, Barut and Salamin (1988) have derived a method for calculating the relativistic decay rates in atoms, in a formulation of quantum electrodynamics based upon the electron's self-energy. The decay rate appears as the imaginary part of a formula giving a complex energy shift, the real part of the formula being the Lamb shift. The presence of the the decay rate in the imaginary part of a formula, giving an energy in its real part, may appear a bit strange. A confirmation of the Barut and Alamin calculation, by means of a quite different point of view, would be useful. Therefore in this work the Einstein A coefficients are calculated, in all cases of degeneracies of the Dirac transition currents, by means of the energy balance method. This point of view is based on the balance between the energy released during the transitions of electrons from a higher state to a lower one, and the flux of the Poynting vector of the classical electromagnetic field, created by the electrons, through a sphere a large radius. The particularity of the present work lies in the direct calculation of the relativistic Dirac transition currents and the fact that the dipole and Pauli approximations are avoided. The quantum part of the relativistic calculation is based on the determination of the transition charge currents in the Darwin solutions of the Dirac equation. 13 refs

  15. Relativistic mean field theory for unstable nuclei

    International Nuclear Information System (INIS)

    Toki, Hiroshi

    2000-01-01

    We discuss the properties of unstable nuclei in the framework of the relativistic mean field (RMF) theory. We take the RMF theory as a phenomenological theory with several parameters, whose form is constrained by the successful microscopic theory (RBHF), and whose values are extracted from the experimental values of unstable nuclei. We find the outcome with the newly obtained parameter sets (TM1 and TMA) is promising in comparison with various experimental data. We calculate systematically the ground state properties of even-even nuclei up to the drip lines; about 2000 nuclei. We find that the neutron magic shells (N=82, 128) at the standard magic numbers stay at the same numbers even far from the stability line and hence provide the feature of the r-process nuclei. However, many proton magic numbers disappear at the neutron numbers far away from the magic numbers due to the deformations. We discuss how to describe giant resonances for the case of the non-linear coupling terms for the sigma and omega mesons in the relativistic RPA. We mention also the importance of the relativistic effect on the spin observables as the Gamow-Teller strength and the longitudinal and transverse spin responses. (author)

  16. Cosmological measurements with general relativistic galaxy correlations

    International Nuclear Information System (INIS)

    Raccanelli, Alvise; Montanari, Francesco; Durrer, Ruth; Bertacca, Daniele; Doré, Olivier

    2016-01-01

    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, especially lensing convergence, introduces an error in the forecasted precision in measuring cosmological parameters of the order of a few tens of percent, in particular when measuring the matter content of the Universe and primordial non-Gaussianity parameters. The analysis suggests a possible substantial systematic error in cosmological parameter constraints. Therefore, we argue that radial correlations and integrated relativistic terms need to be taken into account when forecasting the constraining power of future large-scale number counts of galaxy surveys.

  17. First quantized noncritical relativistic Polyakov string

    International Nuclear Information System (INIS)

    Jaskolski, Z.; Meissner, K.A.

    1994-01-01

    The first quantization of the relativistic Brink-DiVecchia-Howe-Polyakov (BDHP) string in the range 1 < d 25 is considered. It is shown that using the Polyakov sum over bordered surfaces in the Feynman path integral quantization scheme one gets a consistent quantum mechanics of relativistic 1-dim extended objects in the range 1 < d < 25. In particular, the BDHP string propagator is exactly calculated for arbitrary initial and final string configurations and the Hilbert space of physical states of noncritical BDHP string is explicitly constructed. The resulting theory is equivalent to the Fairlie-Chodos-Thorn massive string model. In contrast to the conventional conformal field theory approach to noncritical string and random surfaces in the Euclidean target space the path integral formulation of the Fairlie-Chodos-Thorn string obtained in this paper does not rely on the principle of conformal invariance. Some consequences of this feature for constructing a consistent relativistic string theory based on the ''splitting-joining'' interaction are discussed. (author). 42 refs, 1 fig

  18. Do estilo em ciência e em história das ciências

    Directory of Open Access Journals (Sweden)

    Michel Paty

    2012-08-01

    Full Text Available Ao considerar o conhecimento científico como uma forma de pensamento simbólico, entende-se com isso não simples sistemas de signos, mas conteúdos de pensamento (expressos por conceitos ligados entre si e que fazem sentido, que são, no espaço das representações mentais, os substitutos do "dado objetivo" que se supõe subjazer à experiência que fazemos do "mundo" pelos sentidos e, nesse nível indissociavelmente, pelo entendimento. Esse pensamento simbólico adquire densidade e consistência pela "tecelagem" realizada graças ao trabalho dos pensamentos individuais que se comunicam, social e culturalmente, inscritos no tempo da história. Da tensão dinâmica entre o sujeito do conhecimento, que busca a inteligibilidade (pela operação de sua razão, e a objetividade dos conteúdos que ele se propõe (inicialmente dados, depois modificados ou produzidos, resulta o movimento do pensamento científico e a transformação dos conhecimentos. Esse trabalho do pensamento simbólico é marcado por um estilo próprio a cada um, mas que em parte pode ser comum em contextos, escolas ou tradições. Em ciência e em história das ciências, o estilo intervém em dois níveis: o da abordagem "objetal" da produção das obras pelos cientistas e o da abordagem "reflexiva" da história epistemológica e da filosofia, que se interrogam sobre a significação tanto dos próprios conteúdos de conhecimento quanto do pensamento racional, simbólico, cuja função é manifestá-los.By considering scientific knowledge as a form of symbolic thought, we do not mean by the latter simply systems of signs, but thought contents (expressed by concepts related between them and providing meaning ; they are, in the space of mental representations, the substitutes of the «objectively given» that one supposes to underly the experience of the «world» done through the senses and the understanding, both being indissociable at this level. This symbolic thought gets

  19. Extended Galilean symmetries of non-relativistic strings

    Energy Technology Data Exchange (ETDEWEB)

    Batlle, Carles [Departament de Matemàtiques and IOC, Universitat Politècnica de Catalunya, EPSEVG,Av. V. Balaguer 1, E-08808 Vilanova i la Geltrú (Spain); Gomis, Joaquim; Not, Daniel [Departament de Física Quàntica i Astrofísica and Institut de Ciències del Cosmos (ICCUB),Universitat de Barcelona,Martí i Franquès 1, E-08028 Barcelona (Spain)

    2017-02-09

    We consider two non-relativistic strings and their Galilean symmetries. These strings are obtained as the two possible non-relativistic (NR) limits of a relativistic string. One of them is non-vibrating and represents a continuum of non-relativistic massless particles, and the other one is a non-relativistic vibrating string. For both cases we write the generator of the most general point transformation and impose the condition of Noether symmetry. As a result we obtain two sets of non-relativistic Killing equations for the vector fields that generate the symmetry transformations. Solving these equations shows that NR strings exhibit two extended, infinite dimensional space-time symmetries which contain, as a subset, the Galilean symmetries. For each case, we compute the associated conserved charges and discuss the existence of non-central extensions.

  20. Structural Biology of CI from Phage TP901-1

    DEFF Research Database (Denmark)

    Rasmussen, Kim Krighaar

    (CTD), separated by a linker of various lengths. The NTD is responsible for DNA binding and the CTD is responsible for oligomerization of the CI protein. A Helix-turn-Helix motif is usually responsible for DNA binding. This thesis presents a structural characterization of the CI repressor from TP901...... condition of the CTD, responsible for the arrangement of the hexameric CI repressor. The arrangement of the CI repressor for TP901-1 has previously been described to have 32 point group symmetry based on SAXS studies. The CTD crystallizes with P3121 or P3221 symmetry with one molecule in the asymmetric unit......-length CI can only be answered unambiguously by solving the CTD crystal structure or by use of alternative techniques on the full-length CI....