Massively parallel implementations of coupled-cluster methods for electron spin resonance spectra. I. Isotropic hyperfine coupling tensors in large radicals

Energy Technology Data Exchange (ETDEWEB)

Verma, Prakash; Morales, Jorge A., E-mail: jorge.morales@ttu.edu [Department of Chemistry and Biochemistry, Texas Tech University, P.O. Box 41061, Lubbock, Texas 79409-1061 (United States); Perera, Ajith [Department of Chemistry and Biochemistry, Texas Tech University, P.O. Box 41061, Lubbock, Texas 79409-1061 (United States); Department of Chemistry, Quantum Theory Project, University of Florida, Gainesville, Florida 32611 (United States)

2013-11-07

Coupled cluster (CC) methods provide highly accurate predictions of molecular properties, but their high computational cost has precluded their routine application to large systems. Fortunately, recent computational developments in the ACES III program by the Bartlett group [the OED/ERD atomic integral package, the super instruction processor, and the super instruction architecture language] permit overcoming that limitation by providing a framework for massively parallel CC implementations. In that scheme, we are further extending those parallel CC efforts to systematically predict the three main electron spin resonance (ESR) tensors (A-, g-, and D-tensors) to be reported in a series of papers. In this paper inaugurating that series, we report our new ACES III parallel capabilities that calculate isotropic hyperfine coupling constants in 38 neutral, cationic, and anionic radicals that include the {sup 11}B, {sup 17}O, {sup 9}Be, {sup 19}F, {sup 1}H, {sup 13}C, {sup 35}Cl, {sup 33}S,{sup 14}N, {sup 31}P, and {sup 67}Zn nuclei. Present parallel calculations are conducted at the Hartree-Fock (HF), second-order many-body perturbation theory [MBPT(2)], CC singles and doubles (CCSD), and CCSD with perturbative triples [CCSD(T)] levels using Roos augmented double- and triple-zeta atomic natural orbitals basis sets. HF results consistently overestimate isotropic hyperfine coupling constants. However, inclusion of electron correlation effects in the simplest way via MBPT(2) provides significant improvements in the predictions, but not without occasional failures. In contrast, CCSD results are consistently in very good agreement with experimental results. Inclusion of perturbative triples to CCSD via CCSD(T) leads to small improvements in the predictions, which might not compensate for the extra computational effort at a non-iterative N{sup 7}-scaling in CCSD(T). The importance of these accurate computations of isotropic hyperfine coupling constants to elucidate

l-Tryptophan Radical Cation Electron Spin Resonance Studies: Connecting Solution-derived Hyperfine Coupling Constants with Protein Spectral Interpretations

Science.gov (United States)

Connor, Henry D.; Sturgeon, Bradley E.; Mottley, Carolyn; Sipe, Herbert J.; Mason, Ronald P.

2009-01-01

Fast-flow electron spin resonance (ESR) spectroscopy has been used to detect a free radical formed from the reaction of l-tryptophan with Ce4+ in an acidic aqueous environment. Computer simulations of the ESR spectra from l-tryptophan and several isotopically modified forms strongly support the conclusion that the l-tryptophan radical cation has been detected by ESR for the first time. The hyperfine coupling constants (HFCs) determined from the well-resolved isotropic ESR spectra support experimental and computational efforts to understand l-tryptophan's role in protein catalysis of oxidation-reduction processes. l-tryptophan HFCs facilitated the simulation of fast-flow ESR spectra of free radicals from two related compounds, tryptamine and 3-methylindole. Analysis of these three compounds' β-methylene hydrogen HFC data along with equivalent l-tyrosine data has led to a new computational method that can distinguish between these two amino acid free radicals in proteins without dependence on isotope labeling, electron nuclear double resonance or high-field ESR. This approach also produces geometric parameters (dihedral angles for the β-methylene hydrogens) which should facilitate protein site assignment of observed l-tryptophan radicals as has been done for l-tyrosine radicals. PMID:18433127

Theory of Electric-Field Effects on Electron-Spin-Resonance Hyperfine Couplings

International Nuclear Information System (INIS)

Karna, S.P.

1997-01-01

A quantum mechanical theory of the effects of a uniform electric field on electron-spin-resonance hyperfine couplings is presented. The electric-field effects are described in terms of perturbation coefficients which can be used to probe the local symmetry as well as the strength of the electric field at paramagnetic sites in a solid. Results are presented for the first-order perturbation coefficients describing the Bloembergen effect (linear electric-field effect on hyperfine coupling tensor) for the O atom and the OH radical. copyright 1997 The American Physical Society

The hyperfine structure constants for the 4s24p and 4s25s states of Ga

International Nuclear Information System (INIS)

Wang Qingmin; Dong Chenzhong

2012-01-01

The hyperfine structure (hfs) constants for the states 4s 2 4p 2 P 1/2,3/2 and 4s 2 5s 2 S 1/2 of 71 Ga were calculated using the GRASP2K package based on the multiconfiguration Dirac-Fock (MCDF) method. The results indicated that the core polarization effect was important for the hyperfine structure constants. (authors)

Ab initio calculation of hyperfine splitting constants of molecules

Science.gov (United States)

Ohta, K.; Nakatsuji, H.; Hirao, K.; Yonezawa, T.

1980-08-01

Hyperfine splitting (hfs) constants of molecules, methyl, ethyl, vinyl, allyl, cyclopropyl, formyl, O3-, NH2, NO2, and NF2 radicals have been calculated by the pseudo-orbital (PO) theory, the unrestricted HF (UHF), projected UHF (PUHF) and single excitation (SE) CI theories. The pseudo-orbital (PO) theory is based on the symmetry-adapted-cluster (SAC) expansion proposed previously. Several contractions of the Gaussian basis sets of double-zeta accuracy have been examined. The UHF results were consistently too large to compare with experiments and the PUHF results were too small. For molecules studied here, the PO theory and SECI theory gave relatively close results. They were in fair agreement with experiments. The first-order spin-polarization self-consistency effect, which was shown to be important for atoms, is relatively small for the molecules. The present result also shows an importance of eliminating orbital-transformation dependence from conventional first-order perturbation calculations. The present calculations have explained well several important variations in the experimental hfs constants.

Quantum versus classical hyperfine-induced dynamics in a quantum dota)

Science.gov (United States)

Coish, W. A.; Loss, Daniel; Yuzbashyan, E. A.; Altshuler, B. L.

2007-04-01

In this article we analyze spin dynamics for electrons confined to semiconductor quantum dots due to the contact hyperfine interaction. We compare mean-field (classical) evolution of an electron spin in the presence of a nuclear field with the exact quantum evolution for the special case of uniform hyperfine coupling constants. We find that (in this special case) the zero-magnetic-field dynamics due to the mean-field approximation and quantum evolution are similar. However, in a finite magnetic field, the quantum and classical solutions agree only up to a certain time scale t <τc, after which they differ markedly.

A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals

Energy Technology Data Exchange (ETDEWEB)

Oba, Yuki; Kawatsu, Tsutomu; Tachikawa, Masanori, E-mail: tachi@yokohama-cu.ac.jp [Quantum Chemistry Division, Yokohama City University, Seto 22-2, Kanazawa-ku, Yokohama 236-0027 (Japan)

2016-08-14

The on-the-fly ab initio density functional path integral molecular dynamics (PIMD) simulations, which can account for both the nuclear quantum effect and thermal effect, were carried out to evaluate the structures and “reduced” isotropic hyperfine coupling constants (HFCCs) for muoniated and hydrogenated acetone radicals (2-muoxy-2-propyl and 2-hydoxy-2-propyl) in vacuo. The reduced HFCC value from a simple geometry optimization calculation without both the nuclear quantum effect and thermal effect is −8.18 MHz, and that by standard ab initio molecular dynamics simulation with only the thermal effect and without the nuclear quantum effect is 0.33 MHz at 300 K, where these two methods cannot distinguish the difference between muoniated and hydrogenated acetone radicals. In contrast, the reduced HFCC value of the muoniated acetone radical by our PIMD simulation is 32.1 MHz, which is about 8 times larger than that for the hydrogenated radical of 3.97 MHz with the same level of calculation. We have found that the HFCC values are highly correlated with the local molecular structures; especially, the Mu—O bond length in the muoniated acetone radical is elongated due to the large nuclear quantum effect of the muon, which makes the expectation value of the HFCC larger. Although our PIMD result calculated in vacuo is about 4 times larger than the measured experimental value in aqueous solvent, the ratio of these HFCC values between muoniated and hydrogenated acetone radicals in vacuo is in reasonable agreement with the ratio of the experimental values in aqueous solvent (8.56 MHz and 0.9 MHz); the explicit presence of solvent molecules has a major effect on decreasing the reduced muon HFCC of in vacuo calculations for the quantitative reproduction.

A path integral molecular dynamics study of the hyperfine coupling constants of the muoniated and hydrogenated acetone radicals

International Nuclear Information System (INIS)

Oba, Yuki; Kawatsu, Tsutomu; Tachikawa, Masanori

2016-01-01

The on-the-fly ab initio density functional path integral molecular dynamics (PIMD) simulations, which can account for both the nuclear quantum effect and thermal effect, were carried out to evaluate the structures and “reduced” isotropic hyperfine coupling constants (HFCCs) for muoniated and hydrogenated acetone radicals (2-muoxy-2-propyl and 2-hydoxy-2-propyl) in vacuo. The reduced HFCC value from a simple geometry optimization calculation without both the nuclear quantum effect and thermal effect is −8.18 MHz, and that by standard ab initio molecular dynamics simulation with only the thermal effect and without the nuclear quantum effect is 0.33 MHz at 300 K, where these two methods cannot distinguish the difference between muoniated and hydrogenated acetone radicals. In contrast, the reduced HFCC value of the muoniated acetone radical by our PIMD simulation is 32.1 MHz, which is about 8 times larger than that for the hydrogenated radical of 3.97 MHz with the same level of calculation. We have found that the HFCC values are highly correlated with the local molecular structures; especially, the Mu—O bond length in the muoniated acetone radical is elongated due to the large nuclear quantum effect of the muon, which makes the expectation value of the HFCC larger. Although our PIMD result calculated in vacuo is about 4 times larger than the measured experimental value in aqueous solvent, the ratio of these HFCC values between muoniated and hydrogenated acetone radicals in vacuo is in reasonable agreement with the ratio of the experimental values in aqueous solvent (8.56 MHz and 0.9 MHz); the explicit presence of solvent molecules has a major effect on decreasing the reduced muon HFCC of in vacuo calculations for the quantitative reproduction.

Hyperfine coupling in gadolinium-praseodymium alloys by specific heat measurements

International Nuclear Information System (INIS)

Michel, J.

1969-01-01

We have studied the hyperfine coupling in gadolinium-praseodymium alloys by specific heat measurements down to 0.3 K. In the first part we describe the apparatus used to perform our measurements. The second part is devoted to some theoretical considerations. We have studied in detail the case of praseodymium which is an exception in the rare earth series. The third part shows the results we have obtained. (author) [fr

Calculation of the hyperfine constants of Vk center in CaF2, SrF2 and BaF2

International Nuclear Information System (INIS)

Bufaical, R.F.

1975-03-01

The magnetic hyperfine constants of the V sub(K) center in CaF 2 , SrF 2 and BaF 2 have been calculated, assuming a phenomenological model, based on the F 2 central molecule, to describe the wave function of the defect. The introduction of covalence, with the ions neighboring the central molecule, have shown that this is a better description for the defect than a simple central molecule model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested

Coherent control of two individual electron spins and influence of hyperfine coupling in a double quantum dot

International Nuclear Information System (INIS)

Tarucha, S; Obata, T; Pioro-Ladriere, M; Brunner, R; Shin, Y-S; Kubo, T; Tokura, Y

2011-01-01

Electric dipole spin resonance of two individual electrons and the influence of hyperfine coupling on the spin resonance are studied for a double quantum dot equipped with a micro-magnet. The spin resonance occurs by oscillating the electron in each dot at microwave (MW) frequencies in the presence of a micro-magnet induced stray field. The observed continuous wave (CW) and time-resolved spin resonances are consistent with calculations in which the MW induced AC electric field and micro-magnet induced stray field are taken into account. The influence of hyperfine coupling causes an increase and broadening of the respective CW spin resonance peaks through dynamical nuclear polarization when sweeping up the magnetic field. This behaviour appears stronger for the larger of the two spin resonance peaks and in general becomes more pronounced as the MW power increases, both reflecting that the electron-nuclei interaction is more efficient for the stronger spin resonance. In addition the hyperfine coupling effect only becomes pronounced when the MW induced AC magnetic field exceeds the fluctuating nuclear field.

Searching for an Oscillating Massive Scalar Field as a Dark Matter Candidate Using Atomic Hyperfine Frequency Comparisons.

Science.gov (United States)

Hees, A; Guéna, J; Abgrall, M; Bize, S; Wolf, P

2016-08-05

We use 6 yrs of accurate hyperfine frequency comparison data of the dual rubidium and caesium cold atom fountain FO2 at LNE-SYRTE to search for a massive scalar dark matter candidate. Such a scalar field can induce harmonic variations of the fine structure constant, of the mass of fermions, and of the quantum chromodynamic mass scale, which will directly impact the rubidium/caesium hyperfine transition frequency ratio. We find no signal consistent with a scalar dark matter candidate but provide improved constraints on the coupling of the putative scalar field to standard matter. Our limits are complementary to previous results that were only sensitive to the fine structure constant and improve them by more than an order of magnitude when only a coupling to electromagnetism is assumed.

Hyperfine spectra of the radioactive isotopes 81Kr and 85Kr

International Nuclear Information System (INIS)

Cannon, B.D.

1993-01-01

Isotope shifts and hyperfine constants are reported for the radioactive isotopes 81 Kr and 85 Kr and the stable isotope 83 Kr. The previously unreported nuclear moments of 81 Kr were determined to be μ I =-0.909(4) nuclear magneton and Q=+0.630(13) b from the hyperfine constants. This work increases the number of transitions for which 85 Kr hyperfine constants and isotope shifts have been measured from 1 to 4. The hyperfine anomaly for krypton reported in the previous measurement of 85 Kr hyperfine constants [H. Gerhardt et al., Hyperfine Interact. 9, 175 (1981)] is not supported by this work. The isotope shifts and hyperfine constants of 83 Kr measured in this work are in excellent agreement with previous work. Saturation spectroscopy was used to study transitions from krypton's metastable 1s 5 state to the 2p 9 , 2p 7 , and 2p 6 states. In saturation spectra, different line shapes were observed for the even- and odd-mass krypton isotopes. This even- versus odd-line-mass shape difference can be explained using the large cross section that has been reported for collisional transfer of the 1s 5 state excitation between krypton atoms. Two-color two-photon laser-induced fluorescence was used to measure the hyperfine spectra of the 1s 5- 4d 4 ' transition using the 2p 9 state as the intermediate state. This technique proved to be more sensitive than saturation spectroscopy

Calculation of the hyperfine constants of the V sub (K) center in CaF2, SrF2 e BaF2

International Nuclear Information System (INIS)

Bufaical, R.F.

1975-03-01

The magnetic hyperfine constants of the V sub(K) center in CaF 2 , SrF 2 and BaF 2 have been calculated, assuming a phenomenological model, based on the F - 2 'central molecule', to describe the wave function of the defect. The introduction of covalence with the ions neighboring the 'central molecule', has shown that this is a better description for the defect than a simple 'central molecule' model. It was also shown that the results for the hyperfine constants are strongly dependent on the relaxations of these neighboring ions, which have been determined by fitting the experimental data. The present results are compared with other previous calculations where similar and different methods have been used. A better description for the wave function of the defect is suggested. (author) [pt

Theory of solvent effects on the hyperfine splitting constants in ESR spectra of free radicals

International Nuclear Information System (INIS)

Abe, T.; Tero-Kubota, S.; Ikegami, Y.

1982-01-01

An expression for the effects of solvation and hydrogen bonding on the hyperfine splitting constants of a free radical has been derived by obtaining π-electron spin densities of the radical in solution by perturbation theory. When no hydrogen bonding occurs between the radical and a solvent molecule, the splitting constant is approximately proportional to the Block and Walker parameter of theta(epsilon/sub r/) identical with 3 epsilon/sub r/ (ln epsilon/sub r/)/(epsilon/sub r/ ln epsilon/sub r/ - epsilon/sub r/ + 1) - 6/(ln epsilon/sub r/) - 2, where epsilon/sub r/ is the relative permittivity of the solvent. The expression is successfully applied to the di-tert-butyl nitroxide radical, the 1-methyl-4-(methoxycarbonyl)pyridinyl radical, and other free radicals. The effects of hydrogen bonding are discussed

Hyperfine Structure of Spectral Lines of 143Nd+, 145Nd+, 139La+, 141Pr+ and 137Ba+ Investigated by Collinear Laser Ion Beam Spectroscopy

International Nuclear Information System (INIS)

Anjum, N.

2012-01-01

In this research work the hyperfine structures of spectral lines of barium (Ba) and three lanthanides elements; praseodymium (Pr), lanthanum (La) and neodymium (Nd) have been investigated. The hyperfine splitting factors A and B of the involved levels have been determined with high accuracy and the data are compared with other published results. This research work is divided in four parts. In the 1st part, the hyperfine structures of the spectral lines of the singly ionized praseodymium (Pr II) are investigated by three different laser spectroscopic techniques; laser induced fluorescence (LIF) spectroscopy, inter-modulated saturation spectroscopy and collinear laser ion beam spectroscopy (CLIBS). The 2nd part is concerned with the a control-check of the Marburg mass separator (MARS-II), as it was shifted from the University of Marburg, Germany, to Graz University of Technology in 2002. The check is performed using a well known spectral line 5853.67 Å of the odd isotope of singly ionized barium (137Ba II). In the 3rd part of this work the hyperfine structure of spectral lines of lanthanum-139 ions (139La II) is investigated. The 4th part is devoted to the investigation of the hyperfine structure of spectral lines of two odd isotopes of singly ionized neodymium (143Nd II and 145Nd II) and the determination of the coupling constants A and B of the involved levels. To determine the hyperfine anomaly the ratios of the magnetic dipole constants, i.e A143/A145, and the electric quadrupole constants B143/B145 of the corresponding levels are also calculated. The last three parts of this research project are executed using the high resolution, Doppler reduced method of CLIBS. In CLIBS technique the ions are accelerated by applying a high potential difference (∼ 20 kV). Due to the accelerating cooling (kinematic compression) the spread in velocities in the direction of the flight is reduced several times, hence the Doppler width is reduced. The accelerated ion beam is mass

Vibration dependence of the tensor spin-spin and scalar spin-spin hyperfine interactions by precision measurement of hyperfine structures of 127I2 near 532 nm

International Nuclear Information System (INIS)

Hong Fenglei; Zhang Yun; Ishikawa, Jun; Onae, Atsushi; Matsumoto, Hirokazu

2002-01-01

Hyperfine structures of the R(87)33-0, R(145)37-0, and P(132)36-0 transitions of molecular iodine near 532 nm are measured by observing the heterodyne beat-note signal of two I 2 -stabilized lasers, whose frequencies are bridged by an optical frequency comb generator. The measured hyperfine splittings are fit to a four-term Hamiltonian, which includes the electric quadrupole, spin-rotation, tensor spin-spin, and scalar spin-spin interactions, with an accuracy of ∼720 Hz. High-accurate hyperfine constants are obtained from this fit. Vibration dependences of the tensor spin-spin and scalar spin-spin hyperfine constants are determined for molecular iodine, for the first time to our knowledge. The observed hyperfine transitions are good optical frequency references in the 532-nm region

RNA structure and scalar coupling constants

Energy Technology Data Exchange (ETDEWEB)

Tinoco, I. Jr.; Cai, Z.; Hines, J.V.; Landry, S.M.; SantaLucia, J. Jr.; Shen, L.X.; Varani, G. [Univ. of California, Berkeley, CA (United States)

1994-12-01

Signs and magnitudes of scalar coupling constants-spin-spin splittings-comprise a very large amount of data that can be used to establish the conformations of RNA molecules. Proton-proton and proton-phosphorus splittings have been used the most, but the availability of {sup 13}C-and {sup 15}N-labeled molecules allow many more coupling constants to be used for determining conformation. We will systematically consider the torsion angles that characterize a nucleotide unit and the coupling constants that depend on the values of these torsion angles. Karplus-type equations have been established relating many three-bond coupling constants to torsion angles. However, one- and two-bond coupling constants can also depend on conformation. Serianni and coworkers measured carbon-proton coupling constants in ribonucleosides and have calculated their values as a function of conformation. The signs of two-bond coupling can be very useful because it is easier to measure a sign than an accurate magnitude.

Spin-torsion effects in the hyperfine structure of methanol

International Nuclear Information System (INIS)

Coudert, L. H.; Gutlé, C.; Huet, T. R.; Grabow, J.-U.; Levshakov, S. A.

2015-01-01

The magnetic hyperfine structure of the non-rigid methanol molecule is investigated experimentally and theoretically. 12 hyperfine patterns are recorded using molecular beam microwave spectrometers. These patterns, along with previously recorded ones, are analyzed in an attempt to evidence the effects of the magnetic spin-torsion coupling due to the large amplitude internal rotation of the methyl group [J. E. M. Heuvel and A. Dymanus, J. Mol. Spectrosc. 47, 363 (1973)]. The theoretical approach setup to analyze the observed data accounts for this spin-torsion in addition to the familiar magnetic spin-rotation and spin-spin interactions. The theoretical approach relies on symmetry considerations to build a hyperfine coupling Hamiltonian and spin-rotation-torsion wavefunctions compatible with the Pauli exclusion principle. Although all experimental hyperfine patterns are not fully resolved, the line position analysis yields values for several parameters including one describing the spin-torsion coupling

Hyperfine coupling in gadolinium-praseodymium alloys by specific heat measurements; Etude du couplage hyperfin dans les alliages gadolinium-praseodyme par mesures de chaleur specifique

Energy Technology Data Exchange (ETDEWEB)

Michel, J [Commissariat a l' Energie Atomique, Grenoble (France). Centre d' Etudes Nucleaires

1967-12-01

We have studied the hyperfine coupling in gadolinium-praseodymium alloys by specific heat measurements down to 0.3 K. In the first part we describe the apparatus used to perform our measurements. The second part is devoted to some theoretical considerations. We have studied in detail the case of praseodymium which is an exception in the rare earth series. The third part shows the results we have obtained. (author) [French] Nous avons etudie le couplage hyperfin d'alliages de gadolinium-praseodyme par des mesures de chaleur specifique jusqu'a 0.3 K. Dans la premiere partie de cette etude nous decrivons le dispositif experimental. La deuxieme partie est consacree a des considerations theoriques. Nous avons etudie en detail le cas du praseodyme qui est une exception dans la serie des terres rares. La troisieme partie est consacree aux resultats experimentaux. (auteur)

New Nuclear Magnetic Moment of 209Bi: Resolving the Bismuth Hyperfine Puzzle

Science.gov (United States)

Skripnikov, Leonid V.; Schmidt, Stefan; Ullmann, Johannes; Geppert, Christopher; Kraus, Florian; Kresse, Benjamin; Nörtershäuser, Wilfried; Privalov, Alexei F.; Scheibe, Benjamin; Shabaev, Vladimir M.; Vogel, Michael; Volotka, Andrey V.

2018-03-01

A recent measurement of the hyperfine splitting in the ground state of Li-like 80+208Bi has established a "hyperfine puzzle"—the experimental result exhibits a 7 σ deviation from the theoretical prediction [J. Ullmann et al., Nat. Commun. 8, 15484 (2017), 10.1038/ncomms15484; J. P. Karr, Nat. Phys. 13, 533 (2017), 10.1038/nphys4159]. We provide evidence that the discrepancy is caused by an inaccurate value of the tabulated nuclear magnetic moment (μI) of 209Bi. We perform relativistic density functional theory and relativistic coupled cluster calculations of the shielding constant that should be used to extract the value of μI(209ipts>) and combine it with nuclear magnetic resonance measurements of Bi (NO3 )3 in nitric acid solutions and of the hexafluoridobismuthate(V) BiF6- ion in acetonitrile. The result clearly reveals that μI(209Bi) is much smaller than the tabulated value used previously. Applying the new magnetic moment shifts the theoretical prediction into agreement with experiment and resolves the hyperfine puzzle.

New Nuclear Magnetic Moment of ^{209}Bi: Resolving the Bismuth Hyperfine Puzzle.

Science.gov (United States)

Skripnikov, Leonid V; Schmidt, Stefan; Ullmann, Johannes; Geppert, Christopher; Kraus, Florian; Kresse, Benjamin; Nörtershäuser, Wilfried; Privalov, Alexei F; Scheibe, Benjamin; Shabaev, Vladimir M; Vogel, Michael; Volotka, Andrey V

2018-03-02

A recent measurement of the hyperfine splitting in the ground state of Li-like ^{208}Bi^{80+} has established a "hyperfine puzzle"-the experimental result exhibits a 7σ deviation from the theoretical prediction [J. Ullmann et al., Nat. Commun. 8, 15484 (2017)NCAOBW2041-172310.1038/ncomms15484; J. P. Karr, Nat. Phys. 13, 533 (2017)NPAHAX1745-247310.1038/nphys4159]. We provide evidence that the discrepancy is caused by an inaccurate value of the tabulated nuclear magnetic moment (μ_{I}) of ^{209}Bi. We perform relativistic density functional theory and relativistic coupled cluster calculations of the shielding constant that should be used to extract the value of μ_{I}(^{209}Bi) and combine it with nuclear magnetic resonance measurements of Bi(NO_{3})_{3} in nitric acid solutions and of the hexafluoridobismuthate(V) BiF_{6}^{-} ion in acetonitrile. The result clearly reveals that μ_{I}(^{209}Bi) is much smaller than the tabulated value used previously. Applying the new magnetic moment shifts the theoretical prediction into agreement with experiment and resolves the hyperfine puzzle.

EFFECTIVE HYPERFINE-STRUCTURE FUNCTIONS OF AMMONIA

Energy Technology Data Exchange (ETDEWEB)

Augustovičová, L.; Soldán, P.; Špirko, V., E-mail: spirko@marge.uochb.cas.cz [Charles University in Prague, Faculty of Mathematics and Physics, Department of Chemical Physics and Optics, Ke Karlovu 3, CZ-12116 Prague 2 (Czech Republic)

2016-06-20

The hyperfine structure of the rotation-inversion ( v {sub 2} = 0{sup +}, 0{sup −}, 1{sup +}, 1{sup −}) states of the {sup 14}NH{sub 3} and {sup 15}NH{sub 3} ammonia isotopomers is rationalized in terms of effective (ro-inversional) hyperfine-structure (hfs) functions. These are determined by fitting to available experimental data using the Hougen’s effective hyperfine-structure Hamiltonian within the framework of the non-rigid inverter theory. Involving only a moderate number of mass independent fitting parameters, the fitted hfs functions provide a fairly close reproduction of a large majority of available experimental data, thus evidencing adequacy of these functions for reliable prediction. In future experiments, this may help us derive spectroscopic constants of observed inversion and rotation-inversion transitions deperturbed from hyperfine effects. The deperturbed band centers of ammonia come to the forefront of fundamental physics especially as the probes of a variable proton-to-electron mass ratio.

High precision measurement of the hyperfine fields of substitutional and defect associated Cd in single crystalline hcp cobalt

CERN Document Server

Correia, J G; Melo, A A; Soares, J C

1996-01-01

The hyperfine fields of Cd in single crystalline hcp Co were measured after simultaneous implantation of 111mCd and 111In. High statistics measurements could be done separately for each parent isotope combining the e--g and g-g PAC techniques. The hyperfine coupling constants wL(CdCo)=422.8(1) Mrad/s and w0(CdCo)=6.14(11) Mrad/s are determined for Cd probes in undisturbed substitutional sites. Several defect associated sites in the hcp Co lattice are clearly seen in the data. Most of the radiation damage created by the ion implantation anneals out at temperatures below 503 K, with only one dominating component surviving at this temperature. This defect is assigned as a probe atom in an interstitial site, surrounded by a vacancy tetrahedron. The corresponding magnetic field and electric field gradient are collinear with the c-axis of the Co lattice, and the respective coupling constants are wL(defect)= 216.7(2) Mrad/s and w0(defect)= 45.3(6) Mrad/s.

Isotope effects and the temperature dependences of the hyperfine coupling constants of muoniated sec-butyl radicals in condensed phases.

Science.gov (United States)

Fleming, Donald G; Bridges, Michael D; Arseneau, Donald J; Chen, Ya Kun; Wang, Yan Alexander

2011-04-07

Reported here is the first μSR study of the muon (A(μ)) and proton (A(p)) β-hyperfine coupling constants (Hfcc) of muoniated sec-butyl radicals, formed by muonium (Mu) addition to 1-butene and to cis- and trans-2-butene. The data are compared with in vacuo spin-unrestricted MP2 and hybrid DFT/B3YLP calculations reported in the previous paper (I), which played an important part in the interpretation of the data. The T-dependences of both the (reduced) muon, A(μ)′(T), and proton, A(p)(T), Hfcc are surprisingly well explained by a simple model, in which the calculated Hfcc from paper I at energy minima of 0 and near ±120° are thermally averaged, assuming an energy dependence given by a basic 2-fold torsional potential. Fitted torsional barriers to A(μ)′(T) from this model are similar (~3 kJ/mol) for all muoniated butyl radicals, suggesting that these are dominated by ZPE effects arising from the C−Mu bond, but for A(p)(T) exhibit wide variations depending on environment. For the cis- and trans-2-butyl radicals formed from 2-butene, A(μ)′(T) exhibits clear discontinuities at bulk butene melting points, evidence for molecular interactions enhancing these muon Hfcc in the environment of the solid state, similar to that found in earlier reports for muoniated tert-butyl. In contrast, for Mu−sec-butyl formed from 1-butene, there is no such discontinuity. The muon hfcc for the trans-2-butyl radical are seemingly very well predicted by B3LYP calculations in the solid phase, but for sec-butyl from 1-butene, showing the absence of further interactions, much better agreement is found with the MP2 calculations across the whole temperature range. Examples of large proton Hfcc near 0 K are also reported, due to eclipsed C−H bonds, in like manner to C−Mu, which then also exhibit clear discontinuities in A(p)(T) at bulk melting points. The data suggest that the good agreement found between theory and experiment from the B3LYP calculations for eclipsed bonds in

Charge dependence of the pion-nucleon coupling constant

Directory of Open Access Journals (Sweden)

V. A. Babenko

2015-07-01

Full Text Available On the basis of the Yukawa potential we study the pion-nucleon coupling constants for the neutral and charged pions assuming that nuclear forces at low energies are mainly determined by the exchange of virtual pions. We obtain the charged pseudovector pion-nucleon coupling constant f2π± = 0.0804(7 by making the use of experimental low-energy scattering parameters for the singlet pp- and np-scattering, and also by use of the neutral pseudovector pion-nucleon coupling constant f2π0 = 0.0749(7. Corresponding value of the charged pseudoscalar pion-nucleon coupling constant g2π0 / 4π = 14.55(13 is also determined. This calculated value of the charged pseudoscalar pion-nucleon coupling constant is in fully agreement with the experimental constant g2π0 / 4π = 14.52(26 obtained by the Uppsala Neutron Research Group. Our results show considerable charge splitting of the pion-nucleon coupling constant.

Hyperfine structure of ScI by infrared Fourier transform spectroscopy

International Nuclear Information System (INIS)

Aboussaid, A.; Carleer, M.; Hurtmans, D.; Biemont, E.; Godefroid, M.R.

1996-01-01

The spectrum of scandium was recorded in the infrared region using a high resolution Fourier transform spectrometer and a hollow-cathode discharge. Hyperfine structures of the lines connecting the 3d 2 4s and 3d4s4p level systems of Sc 45 I were observed between 4000 and 5000 cm -1 . The structures were not completely resolved but the individual line contributions to the complex profiles were simulated using the 3d 2 4s 4 F J hyperfine structure constants previously measured with a high precision by laser techniques. We investigate the possibility of extracting the hyperfine constants of the 3d4s4p levels from a least-squares fit of the line profiles, assuming a Doppler lineshape and theoretical relative intensities. New results are presented for 12 levels. (orig.)

Hyperfine structure investigations for the odd-parity configuration system in atomic holmium

Science.gov (United States)

Stefanska, D.; Furmann, B.

2018-02-01

In this work new experimental results of the hyperfine structure (hfs) in the holmium atom are reported, concerning the odd-parity level system. Investigations were performed by the method of laser induced fluorescence in a hollow cathode discharge lamp on 97 spectral lines in the visible part of the spectrum. Hyperfine structure constants: magnetic dipole - A and electric quadrupole - B for 40 levels were determined for the first time; for another 21 levels the hfs constants available in the literature were remeasured. Results for the A constants can be viewed as fully reliable; for B constants further possibilities of improving the accuracy are considered.

Globally Coupled Chaotic Maps with Constant Force

International Nuclear Information System (INIS)

Li Jinghui

2008-01-01

We investigate the motion of the globally coupled maps (logistic map) with a constant force. It is shown that the constant force can cause multi-synchronization for the globally coupled chaotic maps studied by us.

Nuclear Hyperfine Structure in the Donor – Acceptor Complexes (CH3)3N-BF3 and (CH)33N-B(CH3)3

Science.gov (United States)

The donor-acceptor complexes (CH3)3N-BF3 and (CH3)3N-B(CH3)3 have been reinvestigated at high resolution by rotational spectroscopy in a supersonic jet. Nuclear hyperfine structure resulting from both nitrogen and boron has been resolved and quadrupole coupling constants have bee...

Hyperfine structure of muonic lithium ions

Directory of Open Access Journals (Sweden)

Alexey P. Martynenko

2015-06-01

Full Text Available On the basis of perturbation theory in fine structure constant $\\alpha$ and the ratio of electron to muon masses we calculate recoil corrections of order $\\alpha^4 (M_e/M_\\mu$, $\\alpha^4 (M_e/M_\\mu^2\\ln(M_e/M_\\mu$, $\\alpha^4 (M_e/M_\\mu^2$, $\\alpha^5(m_e/m_\\mu\\ln(m_e/m_\\mu$ to hyperfine splitting of the ground state in muonic lithium ions $(\\mu e ^6_3\\mathrm{Li}^+$ and $(\\mu e ^7_3\\mathrm{Li}^+$. We obtain total results for the ground state small hyperfine splittings in $(\\mu e ^6_3\\mathrm{Li}^+$ $\\Delta\

Theoretical hyperfine structures of 19F i and 17O i

Science.gov (United States)

Aourir, Nouria; Nemouchi, Messaoud; Godefroid, Michel; Jönsson, Per

2018-03-01

Multiconfiguration Hartree-Fock (MCHF) and multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations are performed for the 2 p5P2o , 2 p4(3P ) 3 s 4P , 2 p4(3P ) 3 s 2P , and 2 p4(3P ) 3 p 4So states of 19F i to determine their hyperfine constants. Several computing strategies are considered to investigate electron correlation and relativistic effects. High-order correlation contributions are included in MCHF calculations based on single and double multireference expansions. The largest components of the single reference MCHF wave functions are selected to define the multireference (MR) sets. In this scheme, relativistic corrections are evaluated in the Breit-Pauli approximation. A similar strategy is used for the calculation of MCDHF relativistic wave functions and hyperfine parameters. While correlation and relativistic corrections are found to be rather small for the ground state, we highlight large relativistic effects on the hyperfine constant A3 /2 of 2 p4(3P ) 3 p 4So and, to a lesser extent, on A1 /2 of 2 p4(3P ) 3 s 4P . As expected for such a light system, electron correlation effects dominate over relativity in the calculation of the hyperfine interaction of all other levels considered. We also revisit the hyperfine constants of 2 p3(4S ) 3 s S5o and 2 p3(4S ) 3 p 5P in 17O using similar strategies. The results are found to be in excellent agreement with experiment.

Hyperfine structure of six low-lying fine structure levels of 191Ir and 193Ir and the 191Δs193 hyperfine anomaly

International Nuclear Information System (INIS)

Buettgenbach, S.; Dicke, R.; Gebauer, H.; Kuhnen, R.; Traeber, F.

1978-01-01

The hyperfine interaction constants A and B of six low-lying metastable fine structure states of the two iridium isotopes 191 Ir and 193 Ir and the electronic g-factors of these levels have been measured using the atomic-beam magnetic-resonance method. From the values of the magnetic-dipole interaction constants A, corrected for off-diagonal perturbations, we extracted the hyperfine anomaly of a pure 6s-electron state: 191 Δs 193 = 0.64(7)%. Using nonrelativistic approximations for the effective radial parameters the nuclear electric-quadrupole moments were obtained: Q( 191 Ir) = 0.81(21)b, Q( 193 Ir) = 0.73(19)b (corrected for Sternheimer shielding effects). (orig.) [de

Hyperfine splitting of the optical lines in the odd isotopes of uranium

International Nuclear Information System (INIS)

Gangrskij, Yu.P.; Zemlyanoj, S.G.; Markov, B.N.; Kul'dzhanov, B.K.

1996-01-01

The hyperfine structure was studied for two optical transitions in U between the ground state term 5 L 6 and the excited ones 7 M 7 and 7 L 6 . The method of laser resonance fluorescence in the atomic beam was used. The values of constants of hyperfine splitting-magnetic dipole and octupole, electric quadrupole were obtained for odd isotopes 223 U and 235 U. The connection of these constants and atomic and nuclear parameters is discussed. (author). 20 refs., 2 figs., 4 tabs

Hyperfine structure of nine levels in two configurations of 93Nb. Pt. 1

International Nuclear Information System (INIS)

Buettgenbach, S.; Dicke, R.; Gebauer, H.; Herschel, M.; Meisel, G.

1975-01-01

The hyperfine structure of the multiplets 4d 4 5s 6 D and 4d 3 5s 24 F of 93 Nb has been studied by the atomic-beam magnetic-resonance method. After applying corrections due to effects of off-diagonal hyperfine and Zeeman interactions the hyperfine interaction constants A and B and the electron g factors gsub(J) are determined for all nine levels of the two multiplets. (orig.) [de

Renormalization group equations with multiple coupling constants

International Nuclear Information System (INIS)

Ghika, G.; Visinescu, M.

1975-01-01

The main purpose of this paper is to study the renormalization group equations of a renormalizable field theory with multiple coupling constants. A method for the investigation of the asymptotic stability is presented. This method is applied to a gauge theory with Yukawa and self-quartic couplings of scalar mesons in order to find the domains of asymptotic freedom. An asymptotic expansion for the solutions which tend to the origin of the coupling constants is given

Theoretical and experimental investigation of atomic radiative lifetimes and hyperfine structures

International Nuclear Information System (INIS)

Joensson, Per.

1992-01-01

Atomic radiative lifetimes and hyperfine structures as well as other properties, such as total energy and specific mass shift, have been studied theoretically and experimentally. Computer programs to calculate hyperfine structure constants from non-relativistic multiconfiguration Hartree-Fock (MCHF) and relativistic multi-configuration Dirac-Fock (MCDF) wavefunctions have been written. Using these programs large-scale calculations of hyperfine structures in lithium and sodium have been performed. It is shown, that the MCHF method is able to predict hyperfine structures to an accuracy of a few per mille in lithium, whereas for the more complex hyperfine structures to an accuracy of a few per mille in lithium, whereas for the more complex sodium atom an accuracy of a few per cent is obtainable. For lithium convergence of the total energy, ionization energy, specific mass shift and hyperfine parameters has been studied with the MCHF method. Radiative lifetimes and hyperfine structures of excited states in sodium and silver have been experimentally determined using time-resolved laser spectroscopy. By recording the fluorescence light decay curves following VUV excitation, the radiative lifetimes and hyperfine structures of the 7p 2 P states in silver were measured. The delayed-coincidence technique has been used to make very accurate measurements of the radiative lifetimes and hyperfine structures of the lowest P states in sodium and silver

Validating and analyzing EPR hyperfine coupling constants with density functional theory

DEFF Research Database (Denmark)

Hedegård, Erik D.; Kongsted, Jacob; Sauer, Stephan P. A.

2013-01-01

Electron Paramagnetic Resonance (EPR) is a central spectroscopic technique for compounds with non-zero spin. The effective parameters from the EPR spin-Hamiltonian can today be calculated from rst principles using quantum chemical methods. We focus here on the hyperne coupling tensor, A, which....... Unfortunately both organometallic and traditional coordination complexes show a completely different behavior, where the core contributions to AKiso either are comparable (“class 2”) or far exceed (“class 3”) the contributions from the frontier orbitals. Agreement with experiment can for these complexes only...

Coupling constants deduced for the resonances in kaon photo-production

International Nuclear Information System (INIS)

Cheoun, M. K.; Kim, K. S.; Choi, T. K.

2004-01-01

We deduced the coupling constants of nucleon and hyperon resonances, which participate in kaon productions as intermediate states that are formed by electro-magnetic probes and that finally decay into hadronic final states. We used an isobaric model based on an effective Lagrangian approach to describe the processes, in which relevant coupling constants regarding related resonances are effectively determined by fitting available experimental data. Our scheme to deduce the coupling constants was as follows: First, we calculated the lower and the upper limits on the coupling constants by using the experimental decay data available until now and/or theoretical predictions, such as those from quark models and SU(3) symmetry. Second, we exploited those limits as physical constraints on our fitting scheme for the kaon photo-production data. Finally, the deduced values and regions of the coupling constants, which satisfy not only the reaction data but also the decay data, are presented as figures with respect to the strong and the electro-magnetic coupling constants, and their multiplicative values. Our results for the coupling constants give physical values that are more restricted than those allowed by the experimental data nowadays.

Nuclear magnetic resonance J coupling constant polarizabilities of hydrogen peroxide

DEFF Research Database (Denmark)

Kjær, Hanna; Nielsen, Monia R.; Pagola, Gabriel I.

2012-01-01

In this paper we present the so far most extended investigation of the calculation of the coupling constant polarizability of a molecule. The components of the coupling constant polarizability are derivatives of the NMR indirect nuclear spin-spin coupling constant with respect to an external elec...

Ab initio calculations of torsionally mediated hyperfine splittings in E states of acetaldehyde

Science.gov (United States)

Xu, Li-Hong; Reid, E. M.; Guislain, B.; Hougen, J. T.; Alekseev, E. A.; Krapivin, I.

2017-12-01

Quantum chemistry packages can be used to predict with reasonable accuracy spin-rotation hyperfine interaction constants for methanol, which contains one methyl-top internal rotor. In this work we use one of these packages to calculate components of the spin-rotation interaction tensor for acetaldehyde. We then use torsion-rotation wavefunctions obtained from a fit to the acetaldehyde torsion-rotation spectrum to calculate the expected magnitude of hyperfine splittings analogous to those observed at relatively high J values in the E symmetry states of methanol. We find that theory does indeed predict doublet splittings at moderate J values in the acetaldehyde torsion-rotation spectrum, which closely resemble those seen in methanol, but that the factor of three decrease in hyperfine spin-rotation constants compared to methanol puts the largest of the acetaldehyde splittings a factor of two below presently available Lamb-dip resolution.

Two-photon exchange correction to the hyperfine splitting in muonic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Tomalak, Oleksandr [Johannes Gutenberg Universitaet, Institut fuer Kernphysik and PRISMA Cluster of Excellence, Mainz (Germany)

2017-12-15

We reevaluate the Zemach, recoil and polarizability corrections to the hyperfine splitting in muonic hydrogen expressing them through the low-energy proton structure constants and obtain the precise values of the Zemach radius and two-photon exchange (TPE) contribution. The uncertainty of TPE correction to S energy levels in muonic hydrogen of 105 ppm exceeds the ppm accuracy level of the forthcoming 1S hyperfine splitting measurements at PSI, J-PARC and RIKEN-RAL. (orig.)

Strong coupling constant extraction from high-multiplicity Z +jets observables

Science.gov (United States)

Johnson, Mark; Maître, Daniel

2018-03-01

We present a strong coupling constant extraction at next-to-leading order QCD accuracy using ATLAS Z +2 ,3,4 jets data. This is the first extraction using processes with a dependency on high powers of the coupling constant. We obtain values of the strong coupling constant at the Z mass compatible with the world average and with uncertainties commensurate with other next-to-leading order extractions at hadron colliders. Our most conservative result for the strong coupling constant is αS(MZ)=0.117 8-0.0043+0.0051 .

Transient nutation electron spin resonance spectroscopy on spin-correlated radical pairs: A theoretical analysis on hyperfine-induced nuclear modulations

Science.gov (United States)

Weber, Stefan; Kothe, Gerd; Norris, James R.

1997-04-01

The influence of anisotropic hyperfine interaction on transient nutation electron paramagnetic resonance (EPR) of light-induced spin-correlated radical pairs is studied theoretically using the density operator formalism. Analytical expressions for the time evolution of the transient EPR signal during selective microwave excitation of single transitions are derived for a model system comprised of a weakly coupled radical pair and one hyperfine-coupled nucleus with I=1/2. Zero-quantum electron coherence and single-quantum nuclear coherence are created as a result of the sudden light-induced generation of the radical pair state from a singlet-state precursor. Depending on the relative sizes of the nuclear Zeeman frequency and the secular and pseudo-secular parts of the hyperfine coupling, transitions between levels with different nuclear spin orientations are predicted to modulate the time-dependent EPR signal. These modulations are in addition to the well-known transient nutations and electron zero-quantum precessions. Our calculations provide insight into the mechanism of recent experimental observations of coherent nuclear modulations in the time-resolved EPR signals of doublets and radical pairs. Two distinct mechanisms of the modulations are presented for various microwave magnetic field strengths. The first modulation scheme arises from electron and nuclear coherences initiated by the laser excitation pulse and is "read out" by the weak microwave magnetic field. While the relative modulation depth of these oscillations with respect to the signal intensity is independent of the Rabi frequency, ω1, the frequencies of this coherence phenomenon are modulated by the effective microwave amplitude and determined by the nuclear Zeeman interaction and hyperfine coupling constants as well as the electron-electron spin exchange and dipolar interactions between the two radical pair halves. In a second mechanism the modulations are both created and detected by the microwave

Aggregate frequency width, nuclear hyperfine coupling and Jahn-Teller effect of Cu2+ impurity ion ESR in SrLaAlO4 dielectric resonator at 20 millikelvin

Science.gov (United States)

Hosain, M. A.; Le Floch, J.-M.; Krupka, J.; Tobar, M. E.

2018-01-01

The impurity paramagnetic ion, Cu2+ substitutes Al in the SrLaAlO4 single crystal lattice, this results in a CuO6 elongated octahedron, and the resulting measured g-factors satisfy four-fold axes variation condition. The aggregate frequency width of the electron spin resonance with the required minimum level of impurity concentration has been evaluated in this single crystal SrLaAlO4 at 20 millikelvin. Measured parallel hyperfine constants, A\\Vert Cu , were determined to be -155.7×10-4~cm-1, ~ -163.0×10-4~cm-1, ~ -178.3×10-4~cm-1 and -211.1×10-4~cm-1 at 9.072~GHz~(WGH4, 1, 1) for the nuclear magnetic quantum number M_I=+\\frac{3}{2}, +\\frac{1}{2}, -\\frac{1}{2} , and -\\frac{3}{2} respectively. The anisotropy of the hyperfine structure reveals the characteristics of the static Jahn-Teller effect. The second-order-anisotropy term, ˜ (\\fracspin{-orbit~coupling}{10D_q}){\\hspace{0pt}}2 , is significant and cannot be disregarded, with the local strain dominating over the observed Zeeman-anisotropy-energy difference. The Bohr electron magneton, β=9.23× 10-24 JT-1 , (within -0.43% so-called experimental error) has been found using the measured spin-Hamiltonian parameters. Measured nuclear dipolar hyperfine structure parameter P\\Vert=12.3×10-4~cm-1 shows that the mean inverse third power of the electron distance from the nucleus is ≃ 5.23 a.u. for Cu2+ ion in the substituted Al3+ ion site assuming nuclear electric quadruple moment Q=-0.211 barn.

The holographic dictionary for Beta functions of multi-trace coupling constants

Energy Technology Data Exchange (ETDEWEB)

Aharony, Ofer [Department of Particle Physics and Astrophysics,Weizmann Institute of Science, Rehovot 7610001 (Israel); Gur-Ari, Guy [Department of Particle Physics and Astrophysics,Weizmann Institute of Science, Rehovot 7610001 (Israel); Stanford Institute for Theoretical Physics, Stanford University, Stanford, California 94305 (United States); Klinghoffer, Nizan [Department of Particle Physics and Astrophysics,Weizmann Institute of Science, Rehovot 7610001 (Israel)

2015-05-06

Field theories with weakly coupled holographic duals, such as large N gauge theories, have a natural separation of their operators into ‘single-trace operators’ (dual to single-particle states) and ‘multi-trace operators’ (dual to multi-particle states). There are examples of large N gauge theories where the beta functions of single-trace coupling constants all vanish, but marginal multi-trace coupling constants have non-vanishing beta functions that spoil conformal invariance (even when all multi-trace coupling constants vanish). The holographic dual of such theories should be a classical solution in anti-de Sitter space, in which the boundary conditions that correspond to the multi-trace coupling constants depend on the cutoff scale, in a way that spoils conformal invariance. We argue that this is realized through specific bulk coupling constants that lead to a running of the multi-trace coupling constants. This fills a missing entry in the holographic dictionary.

Long-range carbon-proton spin-spin coupling constants in conformational analysis

International Nuclear Information System (INIS)

Spoormaker, T.

1979-01-01

The author has collected a reliable set of data on long range 13 C- 1 H coupling constants in aliphatic compounds and developed the use of long range 13 C- 1 H coupling constants as a tool in the conformational analysis of aliphatic compounds. An empirical determination of the torsion angle dependence of the vicinal 13 C- 1 H coupling constant for model compounds is described and the dependence of long range 13 C- 1 H coupling constants on the electronegativity of substituents attached to the coupling pathway reported for the monohalogen substituted ethanes and propanes. The electronegativity dependence of the vicinal 13 C- 1 H coupling was studied in monosubstituted propanes whose substituents are elements from the first row of the periodic table and it is shown that the vicinal 13 C- 1 H coupling constant in aliphatic systems is a constitutive property. The geminal 13 C- 1 H coupling constants in ethyl, isopropyl and tert-butyl compounds, which have been substituted by an element of the first row of the periodic table or a haline atom, are reported and the influence of electronegative substituents on the vicinal 13 C- 1 H coupling constants in the individual rotamers of 13 CH 3 -C(X)H-C(Y)H- 1 H fragments discussed. The application of long range 13 C- 1 H coupling constants to the conformational analysis of CMP-N-Acetylneuraminic acid and 2,6-dichloro-1,4-oxathiane is described. (Auth.)

Behaviour of coupling constants at high temperature in supersymmetric theories

International Nuclear Information System (INIS)

Swee Ping Chia.

1986-04-01

An analysis is presented of the temperature dependence of the coupling constants using the improved one-loop approximation in the Wess-Zumino model and the supersymmetric O(N) model. It is found that all the coupling constants, both bosonic (Φ 4 type) and Yukawa, approach constant nonzero values as T→∞. The asymptotic values of the bosonic couplings are slightly smaller than the corresponding zero-temperature values, and those of the Yukawa couplings are the same as the zero-temperature values. (author)

Fine and hyperfine structure spectra of the ultra-violet 23S → 53P transition in 4He and 3He with a frequency doubled CW ring laser, detected via associative ionization

International Nuclear Information System (INIS)

Runge, S.; Pesnelle, A.; Perdrix, M.; Sevin, D.; Wolffer, N.; Watel, G.

1982-01-01

High resolution laser spectroscopy coupled to a sensitive method of detection via mass analysis of He + 2 ions produced in He(5 3 P) + He(1 1 S) collisions, is used to obtain the fine and hyperfine spectra of the ultra-violet He 2 3 S → 5 3 P transition. A cw tunable UV radiation around 294.5 nm is generated by intracavity frequency doubling a Rhodamine 6G single mode ring dye laser using an ADA crystal. Both spectra enable fine and hyperfine structures to be determined within a few MHz. The magnetic dipole coupling constant A of the 5 3 P term of 3 He is found to be -4326 +- 9 MHz (-0.1443 +- 0.0003 cm -1 ). (orig.)

Vibrationally induced nuclear quadrupole coupling in the v3 = 1 state of 189OsO4

International Nuclear Information System (INIS)

Scappini, F.; Kreiner, W.A.; Frye, J.M.; Oka, T.

1987-01-01

Electric nuclear quadrupole hyperfine structure arising from a quadrupolar nucleus at the center of tetrahedral molecules, such as 189 OsO 4 , is symmetry forbidden. However, through vibration--rotation distortion a small nuclear quadrupole coupling is induced. The hyperfine structure due to the vibrationally induced eqQ has been measured for a number of P- and R-branch transitions in the ν 3 fundamental of 189 OsO 4 , by using inverse Lamb dip spectroscopy. Microwave modulation sidebands of CO 2 laser lines have been used as the tunable infrared radiation. From the analysis of the observed hyperfine structure patterns, the values of the scalar and tensor coupling constants have been determined to be chi/sup V//sub s/ = -4.103 +- 0.048 MHz and chi/sup V//sub t/ = -3.090 +- 0.059 MHz

Coupling constants (Tdn) and (Td*n) for local potentials

International Nuclear Information System (INIS)

Belyaev, V.B.; Irgaziev, B.F.; Orlov, Yu.V.

1976-01-01

The coupling constants (Tdn) and (Td*n) are found solving the Faddeev equations with local potentials. It is shown that the polinomial extrapolation of the wave function to the nonphysical region of the variable Q 2 turns not to be sure for determination of the coupling constants

Determination of the π3He3H coupling constant

International Nuclear Information System (INIS)

Nichitiu, F.; Sapozhnikov, M.G.

1977-01-01

Despersion relations for the real part of the antisymmetric amplitude of the π +-3 He scattering have been used in order to determine the π 3 He 3 H coupling constant. The coupling constant value determined by this method is larger than the elementary pion-nucleon coupling constant, but is in good agreement with the value obtained by another method. The obtained value is f 2 sub(π 3 He 3 H) = 0.12+-0.01. Shown is the importance of using the Coulomb corrections for dispersion relation calculations because the value of π 3 He 3 H coupling constant obtained with corrected total cross sections is larger by about 0.014 than the one obtained without these corrections. The best energy ranges for future π 3 He experiments are commented

/sup 13/C-/sup 13/C spin-spin coupling constants in structural investigations. V. The direct carbon-carbon coupling constants in the vinyl group

Energy Technology Data Exchange (ETDEWEB)

Krivdin, L.B.; Shcherbakov, V.V.; Kalabin, G.A.

1988-03-10

The direct spin-spin coupling constants in the vinyl group were measured in 100 mono-substituted ethylene derivatives. The inductive effect of the substituent was found to be the major factor in the variation of this constant and, in some cases, the stereospecific effect of the unshared electron pairs of heteratoms makes a significant contribution to the /sup 13/C-/sup 13/C coupling constants.

Hyperfine interaction mediated electric-dipole spin resonance: the role of frequency modulation

International Nuclear Information System (INIS)

Li, Rui

2016-01-01

The electron spin in a semiconductor quantum dot can be coherently controlled by an external electric field, an effect called electric-dipole spin resonance (EDSR). Several mechanisms can give rise to the EDSR effect, among which there is a hyperfine mechanism, where the spin-electric coupling is mediated by the electron–nucleus hyperfine interaction. Here, we investigate the influence of frequency modulation (FM) on the spin-flip efficiency. Our results reveal that FM plays an important role in the hyperfine mechanism. Without FM, the electric field almost cannot flip the electron spin; the spin-flip probability is only about 20%. While under FM, the spin-flip probability can be improved to approximately 70%. In particular, we find that the modulation amplitude has a lower bound, which is related to the width of the fluctuated hyperfine field. (paper)

Calculation of hyperfine constants for the H center in LiF

International Nuclear Information System (INIS)

Alencar, P.T.S.

1975-01-01

The EPR and the ENDOR hyperfine parameters for the H center in LiF are calculated assuming that the F - 2 central molecule is a simplified model for the electronic structure of this deffect. The best theoretical fitting was obtained by relaxing the ions neighboring the central molecule. We have obtained relaxations which are in agreement with the physical nature of this deffect, but for some ions the results have shown that a better wave functions for the unpaired electrons must be used. The results and the limitations of the suggested model, are discussed proposing a more realistic description for the deffect, than the F - 2 central molecule model

Mimicking the cosmological constant: Constant curvature spherical solutions in a nonminimally coupled model

International Nuclear Information System (INIS)

Bertolami, Orfeu; Paramos, Jorge

2011-01-01

The purpose of this study is to describe a perfect fluid matter distribution that leads to a constant curvature region, thanks to the effect of a nonminimal coupling. This distribution exhibits a density profile within the range found in the interstellar medium and an adequate matching of the metric components at its boundary. By identifying this constant curvature with the value of the cosmological constant and superimposing the spherical distributions arising from different matter sources throughout the universe, one is able to mimic a large-scale homogeneous cosmological constant solution.

Calculation of the Green functions by the coupling constant dispersion relations

International Nuclear Information System (INIS)

Bogomalny, E.B.

1977-01-01

The discontinuities of the Green functions on the cut in the complex plane of the coupling constant are calculated by the steepest descent method. The saddle points are given by the solutions of the classical field equations at those values of the coupling constant for which the classical theory has no ground state. The Green functions at the physical values of the coupling constant are determined by dispersion relations. (Auth.)

Constants of hyperfine interaction of lanthanoid-phosphorus for [LnCl2Hmpa4]BPh4 composition compounds from data on 1H and 31P NMR

International Nuclear Information System (INIS)

Skopenko, V.V.; Amirkhanov, V.M.; Turov, A.V.; Trachevskij, V.V.

1991-01-01

By the method of 1 H and 31 P NMR at 233 and 298 K acetone solutions of lanthanide complexes of the composition [LnCl 2 Hmpa 4 ]BPh 4 (Hmpa=OP[N(CH 3 ) 2 ] 3 , Ln=La, Ce-Lu) have been considered. Two series of complexes having similar structure of coordination sphere (Ln=Pr-Ho and Ln=Er-Yb) are revealed and for each series the values of hyperfine interaction constants, which are 0.49 and 0.28 MHz respectively, have been determined

Running couplings and operator mixing in the gravitational corrections to coupling constants

International Nuclear Information System (INIS)

Anber, Mohamed M.; Donoghue, John F.; El-Houssieny, Mohamed

2011-01-01

The use of a running coupling constant in renormalizable theories is well known, but the implementation of this idea for effective field theories with a dimensional coupling constant is, in general, less useful. Nevertheless, there are multiple attempts to define running couplings, including the effects of gravity, with varying conclusions. We sort through many of the issues involved, most particularly the idea of operator mixing and also the kinematics of crossing, using calculations in Yukawa and λφ 4 theories as illustrative examples. We remain in the perturbative regime. In some theories with a high permutation symmetry, such as λφ 4 , a reasonable running coupling can be defined. However, in most cases, such as Yukawa and gauge theories, a running coupling fails to correctly account for the energy dependence of the interaction strength. As a by-product we also contrast on-shell and off-shell renormalization schemes and show that operators which are normally discarded, such as those that vanish by the equations of motion, are required for off-shell renormalization of effective field theories. Our results suggest that the inclusion of gravity in the running of couplings is not useful or universal in the description of physical processes.

The (φ4)3+1 theory with infinitesimal bare coupling constants

International Nuclear Information System (INIS)

Yotsuyanagi, I.

1987-01-01

We study the (φ 4 ) 3+1 theory by means of a variational method improved with a BCS-type vacuum state. We examine the theory with both negative and positive infinitesimal bare coupling constants, where the theory has been suggested to exist nontrivially and stably in the infinite ultraviolet cutoff limit. When the cutoff is sent to infinity, we find the instability of the vacuum energy at the end point value of the variational parameter in the case of the negative bare coupling constant. For the positive bare coupling constant, we can renormalize the vacuum energy without using the extremal condition with respect to the variational mass parameter. We do not find an instability for the whole range of parameters including the end point. We still have a possibility that the theory with this bare coupling constant is nontrivial and stable. (orig.)

Electrical detection of hyperfine interactions in silicon

Energy Technology Data Exchange (ETDEWEB)

Hoehne, Felix

2012-12-15

lock-in detection scheme for pEDMR, which improves the signal-to-noise ratio by one order of magnitude by removing low-frequency noise caused by the high power microwave pulse amplifier. The lock-in scheme is based on a two-step phase cycle of the spin echo projection pulse to modulate the signal in combination with its phase-sensitive detection. We developed an electrically detected ELDOR scheme to identify the spin pairs responsible for the EDMR signals in phosphorus-doped silicon at the Si/SiO{sub 2} interface and in bulk {gamma}-irradiated phosphorus-doped silicon. Recombination in the former takes place via {sup 31}P donors and P{sub b0} interface defects, while in the latter the spin pairs are formed by {sup 31}P donors and the excited triplet state of the oxygen-vacancy center (SL1). We describe DEER measurements of the exchange coupling between {sup 31}P and P{sub b0} spins. In the sample studied exemplarily, the DEER signal decays exponentially with a timeconstant of 1.7 {mu}s suggesting a broad distribution of coupling constants. We can describe this decay with a distribution of {sup 31}P-P{sub b0} distances ranging from 14 nm to 20 nm by numerically calculating the exchange coupling as a function of the {sup 31}P-P{sub b0} distance. Further, we combined pEDMR with pulsed optical excitation to design pulse sequences allowing for the measurement of the timeconstants of the spin pair recombination process. In particular, we investigated samples with {sup 31}P-P{sub b0} spin pairs and samples with {sup 31}P-SL1 spin pairs and measured the recombination timeconstants of antiparallel spin pairs, parallel spin pairs and the timeconstant for the generation of new spin pairs. We find that for both spin pairs, the antiparallel recombination timeconstant is of the order of a few microseconds approximately a factor of 100 shorter than the parallel recombination timeconstant. The generation rate is found to depend linearly on the illumination intensity ranging from 10

Electrical detection of hyperfine interactions in silicon

International Nuclear Information System (INIS)

Hoehne, Felix

2012-01-01

-frequency noise caused by the high power microwave pulse amplifier. The lock-in scheme is based on a two-step phase cycle of the spin echo projection pulse to modulate the signal in combination with its phase-sensitive detection. We developed an electrically detected ELDOR scheme to identify the spin pairs responsible for the EDMR signals in phosphorus-doped silicon at the Si/SiO 2 interface and in bulk γ-irradiated phosphorus-doped silicon. Recombination in the former takes place via 31 P donors and P b0 interface defects, while in the latter the spin pairs are formed by 31 P donors and the excited triplet state of the oxygen-vacancy center (SL1). We describe DEER measurements of the exchange coupling between 31 P and P b0 spins. In the sample studied exemplarily, the DEER signal decays exponentially with a timeconstant of 1.7 μs suggesting a broad distribution of coupling constants. We can describe this decay with a distribution of 31 P-P b0 distances ranging from 14 nm to 20 nm by numerically calculating the exchange coupling as a function of the 31 P-P b0 distance. Further, we combined pEDMR with pulsed optical excitation to design pulse sequences allowing for the measurement of the timeconstants of the spin pair recombination process. In particular, we investigated samples with 31 P-P b0 spin pairs and samples with 31 P-SL1 spin pairs and measured the recombination timeconstants of antiparallel spin pairs, parallel spin pairs and the timeconstant for the generation of new spin pairs. We find that for both spin pairs, the antiparallel recombination timeconstant is of the order of a few microseconds approximately a factor of 100 shorter than the parallel recombination timeconstant. The generation rate is found to depend linearly on the illumination intensity ranging from 10 μs to <1 ms.

Spectra of magnetic chain graphs: coupling constant perturbations

Czech Academy of Sciences Publication Activity Database

Exner, Pavel; Manko, S. S.

2015-01-01

Roč. 48, č. 12 (2015), s. 125302 ISSN 1751-8113 R&D Projects: GA ČR(CZ) GA14-06818S Institutional support: RVO:61389005 Keywords : quantum graph * magnetic field * coupling constant perturbation * eigenvalues in gaps * weak coupling Subject RIV: BE - Theoretical Physics Impact factor: 1.933, year: 2015

gsub(ωrhoπ) coupling constant from QCD sum rules

International Nuclear Information System (INIS)

Eletsky, V.L.; Ioffe, B.L.; Kogan, Ya.I.

1982-01-01

QCD sum rules for the vertex function of two vector and one axial vector currents are used to calculate the gsub(ωrhoπ) coupling constant (where gsub(ωrhoπ) is a transition coupling constant for ω → rhoπ process). The obtained value, gsub(ωrhoπ) approximately 17 GeV -1 is in a good agreement with experimental data

Unexpected lines due to hyperfine interaction

International Nuclear Information System (INIS)

Andersson, Martin

2009-01-01

Hyperfine interaction is often viewed as a small perturbation that only broadens or in some cases splits a line into many closely spaced lines. In this work, we present some cases where this picture is obsolete and where the hyperfine interaction makes drastic changes to spectra. Off-diagonal hyperfine interaction introduces a mixing between states which can differ in the J quantum number. In most cases this mixing is very small, but even so it could have a dramatic influence on the spectra. Some metastable levels are sensitive to the hyperfine interaction and we show this by presenting the results for hyperfine-dependent lifetimes of the 3d 9 4s 3 D 3 level along parts of the higher end of the Ni-like iso-electronic sequence. In the absence of a nuclear spin, this level can only decay through a magnetic-octupole transition, but in the presence of a nuclear spin, the off-diagonal hyperfine interaction introduces a mixing with the 3d 9 4s 3 D 2 level and a new electric-quadrupole transition channel is opened. It is shown that this new transition channel in many cases is the dominant one and that the lifetime of the 3 D 3 level is sensitive to hyperfine interaction all along the sequence. An example of other types of states that are sensitive to hyperfine interaction are those belonging to configurations of the type nsn'l' where l≥3. In such systems the levels are close in energy and the open s-shell gives rise to a strong hyperfine interaction. This in turn introduces a large mixing between the hyperfine levels and shows up in the spectra as a large intensity redistribution among the hyperfine lines. We present detailed results for the 4s4d 3 D 2 -4s4f 3 F 2 transitions in Ga ii, and show that by including the hyperfine interaction in a proper way, we could reproduce experimental spectra that had not been possible earlier.

Optogalvanic spectroscopy of the hyperfine structure of weak La I lines: discovery of new even parity fine structure levels

International Nuclear Information System (INIS)

Siddiqui, Imran; Khan, Shamim; Gamper, B; Windholz, L; Dembczyński, J

2013-01-01

The hyperfine structure of weak La I lines was experimentally investigated using laser optogalvanic spectroscopy in a hollow cathode discharge lamp. More than 100 La I lines were investigated and 40 new energy levels were discovered, most of them having even parity. The magnetic hyperfine interaction constants A and in some cases the electric quadrupole interaction constants B for these levels were determined. All the newly discovered levels were confirmed either by additional laser excitations (from other known levels) or by lines in a Fourier transform spectrum which could now be classified. (paper)

Coupling-constant flows and dynamical symmetry breaking

International Nuclear Information System (INIS)

Yamagishi, H.

1981-01-01

The Coleman-Weinberg theory is reformulated in terms of flows in coupling-constant space. It is shown that the existence of dynamical symmetry breaking is governed essentially by the b functions. An application is made to the massless Weinberg-Salam model

f-electron-nuclear hyperfine-coupled multiplets in the unconventional charge order phase of filled skutterudite PrRu4P12

International Nuclear Information System (INIS)

Aoki, Yuji; Namiki, Takahiro; Saha, Shanta R.; Sato, Hideyuki; Tayama, Takashi; Sakakibara, Toshiro; Shiina, Ryousuke; Shiba, Hiroyuki; Sugawara, Hitoshi

2011-01-01

The filled skutterudite PrRu 4 P 12 is known to undergo an unconventional charge order phase transition at 63 K, below which two sublattices with distinct f-electron crystalline-electric-field ground states are formed. In this paper, we study experimentally and theoretically the properties of the charge order phase at very low temperature, particularly focusing on the nature of the degenerate triplet ground state on one of the sublattices. First, we present experimental results of specific heat and magnetization measured with high quality single crystals. In spite of the absence of any symmetry breaking, the specific heat shows a peak structure at T p =0.30 K in zero field; it shifts to higher temperatures as the magnetic field is applied. In addition, the magnetization curve has a remarkable rounding below 1 T. Then, we study the origin of these experimental findings by considering the hyperfine interaction between 4f electron and nuclear spin. We demonstrate that the puzzling behaviors at low temperatures can be well accounted for by the formation of 4f-electron-nuclear hyperfine-coupled multiplets, the first thermodynamical observation of its kind. (author)

Stochastic hyperfine interactions modeling library

Science.gov (United States)

Zacate, Matthew O.; Evenson, William E.

2011-04-01

The stochastic hyperfine interactions modeling library (SHIML) provides a set of routines to assist in the development and application of stochastic models of hyperfine interactions. The library provides routines written in the C programming language that (1) read a text description of a model for fluctuating hyperfine fields, (2) set up the Blume matrix, upon which the evolution operator of the system depends, and (3) find the eigenvalues and eigenvectors of the Blume matrix so that theoretical spectra of experimental techniques that measure hyperfine interactions can be calculated. The optimized vector and matrix operations of the BLAS and LAPACK libraries are utilized; however, there was a need to develop supplementary code to find an orthonormal set of (left and right) eigenvectors of complex, non-Hermitian matrices. In addition, example code is provided to illustrate the use of SHIML to generate perturbed angular correlation spectra for the special case of polycrystalline samples when anisotropy terms of higher order than A can be neglected. Program summaryProgram title: SHIML Catalogue identifier: AEIF_v1_0 Program summary URL:http://cpc.cs.qub.ac.uk/summaries/AEIF_v1_0.html Program obtainable from: CPC Program Library, Queen's University, Belfast, N. Ireland Licensing provisions: GNU GPL 3 No. of lines in distributed program, including test data, etc.: 8224 No. of bytes in distributed program, including test data, etc.: 312 348 Distribution format: tar.gz Programming language: C Computer: Any Operating system: LINUX, OS X RAM: Varies Classification: 7.4 External routines: TAPP [1], BLAS [2], a C-interface to BLAS [3], and LAPACK [4] Nature of problem: In condensed matter systems, hyperfine methods such as nuclear magnetic resonance (NMR), Mössbauer effect (ME), muon spin rotation (μSR), and perturbed angular correlation spectroscopy (PAC) measure electronic and magnetic structure within Angstroms of nuclear probes through the hyperfine interaction. When

Can coupling constants be related

International Nuclear Information System (INIS)

Nandi, Satyanarayan; Ng, Wing-Chiu.

1978-06-01

We analyze the conditions under which several coupling constants in field theory can be related to each other. When the relation is independent of the renormalization point, the relation between any g and g' must satisfy a differential equation as follows from the renormalization group equations. Using this differential equation, we investigate the criteria for the feasibility of a power-series relation for various theories, especially the Weinberg-Salam type (including Higgs bosons) with an arbitrary number of quark and lepton flavors. (orig./WL) [de

Investigation of the hyperfine properties of deoxy hemoglobin based on its electronic structure obtained by Hartree-Fock-Roothan procedure

Energy Technology Data Exchange (ETDEWEB)

Lata, K. Ramani [State University of New York at Albany, Department of Physics (United States); Sahoo, N. [University of Texas M.D. Anderson Cancer Center, Department of Radiation Physics (United States); Dubey, Archana [University of Central Florida, Department of Physics (United States); Scheicher, R. H. [Uppsala University, Condensed Matter Theory Group, Department of Physics and Materials Science (Sweden); Badu, S. R.; Pink, R. H.; Mahato, Dip N. [State University of New York at Albany, Department of Physics (United States); Schulte, A. F.; Saha, H. P. [University of Central Florida, Department of Physics (United States); Maharjan, N. B. [State University of New York at Albany, Department of Physics (United States); Chow, Lee [University of Central Florida, Department of Physics (United States); Das, T. P., E-mail: tpd56@albany.edu [State University of New York at Albany, Department of Physics (United States)

2008-01-15

The electronic structure of the heme unit of deoxyhemoglobin including the proximal imidazole has been studied using the first-principles Hartree-Fock procedure. Our results for the {sup 57m}Fe isomer shift and asymmetry parameter are in very good agreement with the values obtained from Moessbauer spectroscopy measurements. The {sup 57m}Fe nuclear quadrupole coupling constant is smaller than the experimental result and possible ways to improve the agreement in the future are discussed. Improved analysis of the Moessbauer data, removing some approximations made for deriving the magnetic hyperfine tensor for the {sup 57m}Fe nucleus, is suggested to allow quantitative comparison with our results in the future.

A classic case of Jahn–Teller effect theory revisited: Ab initio simulation of hyperfine coupling and pseudorotational tunneling in the 1"2E′ state of Na_3

International Nuclear Information System (INIS)

Hauser, Andreas W.; Pototschnig, Johann V.; Ernst, Wolfgang E.

2015-01-01

Highlights: • Multireference and Coupled Cluster methods are applied to Na_3. • The PES is characterized by an analytical function fitted to ab initio data. • An effective rovibrational Hamiltonian is set up, with all parameters derived ab initio. • The coupling of pseudorotational tunneling and hyperfine interactions is investigated. • The theoretical predictions are compared to microwave spectra. - Abstract: The predictive capabilities of current ab initio approaches are tested in a benchmark study on the well known case of the Na_3 ground state. This molecule is small enough to be treated with computationally demanding methods, but also shows an interesting interplay between Jahn–Teller-, spin-orbit-, rovibrational- and hyperfine-interactions. The necessary parameters for the effective Hamiltonian are derived from the potential energy surface of the 1"2E′ ground state and from spin density evaluations at selected geometries, without any fitting adjustments to experimental data. We compare our results to highly resolved microwave spectra, with the aim to improve previous assignment attempts, where some parameters had to be estimated from fits to measured spectra.

Spectroscopy Apparatus for the Measurement of The Hyperfine Structure of Antihydrogen

CERN Document Server

Malbrunot, C.; Diermaier, M.; Dilaver, N.; Friedreich, S.; Kolbinger, B.; Lehner, S.; Lundmark, R.; Massiczek, O.; Radics, B.; Sauerzopf, C.; Simon, M.; Widmann, E.; Wolf, M.; Wünschek, B.; Zmeskal, J.

2014-02-04

The ASACUSA CUSP collaboration at the Antiproton Decelerator (AD) of CERN is planning to measure the ground-state hyperfine splitting of antihydrogen using an atomic spectroscopy beamline. We describe here the latest developments on the spectroscopy apparatus developed to be coupled to the antihydrogen production setup (CUSP).

On the use of Locally Dense Basis Sets in the Calculation of EPR Hyperfine Couplings

DEFF Research Database (Denmark)

Hedegård, Erik D.; Sauer, Stephan P. A.; Milhøj, Birgitte O.

2013-01-01

The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site in the c......The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site...

On the use of locally dense basis sets in the calculation of EPR hyperfine couplings

DEFF Research Database (Denmark)

Milhøj, Birgitte Olai; Hedegård, Erik D.; Sauer, Stephan P. A.

2013-01-01

The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site in the c......The usage of locally dense basis sets in the calculation of Electron Paramagnetic Resonance (EPR) hyperne coupling constants is investigated at the level of Density Functional Theory (DFT) for two model systems of biologically important transition metal complexes: One for the active site...

Density-dependent coupling constants and charge symmetry breaking

International Nuclear Information System (INIS)

Barreiro, L.A.

2001-01-01

The effect of the medium in the coupling constants implicate in a charge symmetry breaking on nuclear interactions. The amount of energy due to this modification can explain the Nolen-Schiffer anomaly. (author)

Running coupling constants of the Luttinger liquid

International Nuclear Information System (INIS)

Boose, D.; Jacquot, J.L.; Polonyi, J.

2005-01-01

We compute the one-loop expressions of two running coupling constants of the Luttinger model. The obtained expressions have a nontrivial momentum dependence with Landau poles. The reason for the discrepancy between our results and those of other studies, which find that the scaling laws are trivial, is explained

Fluctuating hyperfine interactions: computational implementation

International Nuclear Information System (INIS)

Zacate, M. O.; Evenson, W. E.

2010-01-01

A library of computational routines has been created to assist in the analysis of stochastic models of hyperfine interactions. We call this library the stochastic hyperfine interactions modeling library (SHIML). It provides routines written in the C programming language that (1) read a text description of a model for fluctuating hyperfine fields, (2) set up the Blume matrix, upon which the evolution operator of the system depends, and (3) find the eigenvalues and eigenvectors of the Blume matrix so that theoretical spectra of experimental hyperfine interaction measurements can be calculated. Example model calculations are included in the SHIML package to illustrate its use and to generate perturbed angular correlation spectra for the special case of polycrystalline samples when anisotropy terms of higher order than A 22 can be neglected.

Measurement of the strong coupling constant using τ decays

Science.gov (United States)

Buskulic, D.; Decamp, D.; Goy, C.; Lees, J.-P.; Minard, M.-N.; Mours, B.; Pietrzyk, B.; Alemany, R.; Ariztizabal, F.; Comas, P.; Crespo, J. M.; Delfino, M.; Fernandez, E.; Fernandez-Bosman, M.; Gaitan, V.; Garrido, Ll.; Mattison, T.; Pacheco, A.; Padilla, C.; Pascual, A.; Creanza, D.; de Palma, M.; Farilla, A.; Iaselli, G.; Maggi, G.; Maggi, M.; Natali, S.; Nuzzo, S.; Quattromini, M.; Ranieri, A.; Raso, G.; Romano, F.; Ruggieri, F.; Selvaggi, G.; Silvestris, L.; Tempesta, P.; Zito, G.; Chai, Y.; Hu, H.; Huang, D.; Huang, X.; Lin, J.; Wang, T.; Xie, Y.; Xu, D.; Xu, R.; Zhang, J.; Zhang, L.; Zhao, W.; Bauerdick, L. A. T.; Blucher, E.; Bonvicini, G.; Boudreau, J.; Casper, D.; Drevermann, H.; Forty, R. W.; Ganis, G.; Gay, C.; Hagelberg, R.; Harvey, J.; Haywood, S.; Hilgart, J.; Jacobsen, R.; Jost, B.; Knobloch, J.; Lehraus, I.; Lohse, T.; Lusiani, A.; Martinez, M.; Mato, P.; Meinhard, H.; Minten, A.; Miotto, A.; Miquel, R.; Moser, H.-G.; Palazzi, P.; Perlas, J. A.; Pusztaszeri, J.-F.; Ranjard, F.; Redlinger, G.; Rolandi, L.; Rothberg, J.; Ruan, T.; Saich, M.; Schlatter, D.; Schmelling, M.; Sefkow, F.; Tejessy, W.; Wachsmuth, H.; Wiedenmann, W.; Wildish, T.; Witzeling, W.; Wotschack, J.; Ajaltouni, Z.; Badaud, F.; Bardadin-Otwinowska, M.; El Fellous, R.; Falvard, A.; Gay, P.; Guicheney, C.; Henrard, P.; Jousset, J.; Michel, B.; Montret, J.-C.; Pallin, D.; Perret, P.; Podlyski, F.; Proriol, J.; Prulhière, F.; Saadi, F.; Fearnley, T.; Hansen, J. D.; Hansen, J. R.; Hansen, P. H.; Møllerud, R.; Nilsson, B. S.; Efthymiopoulos, I.; Kyriakis, A.; Simopoulou, E.; Vayaki, A.; Zachariadou, K.; Badier, J.; Blondel, A.; Bonneaud, G.; Brient, J. C.; Fouque, G.; Orteu, S.; Rougé, A.; Rumpf, M.; Tanaka, R.; Verderi, M.; Videau, H.; Candlin, D. J.; Parsons, M. I.; Veitch, E.; Moneta, L.; Parrini, G.; Corden, M.; Georgiopoulos, C.; Ikeda, M.; Lannutti, J.; Levinthal, D.; Mermikides, M.; Sawyer, L.; Wasserbaech, S.; Antonelli, A.; Baldini, R.; Bencivenni, G.; Bologna, G.; Bossi, F.; Campana, P.; Capon, G.; Cerutti, F.; Chiarella, V.; D'Ettorre-Piazzoli, B.; Felici, G.; Laurelli, P.; Mannocchi, G.; Murtas, F.; Murtas, G. P.; Passalacqua, L.; Pepe-Altarelli, M.; Picchi, P.; Colrain, P.; Ten Have, I.; Lynch, J. G.; Maitland, W.; Morton, W. T.; Raine, C.; Reeves, P.; Scarr, J. M.; Smith, K.; Smith, M. G.; Thompson, A. S.; Turnbull, R. M.; Brandl, B.; Braun, O.; Geweniger, C.; Hanke, P.; Hepp, V.; Kluge, E. E.; Maumary, Y.; Putzer, A.; Rensch, B.; Stahl, A.; Tittel, K.; Wunsch, M.; Belk, A. T.; Beuselinck, R.; Binnie, D. M.; Cameron, W.; Cattaneo, M.; Colling, D. J.; Dornan, P. J.; Dugeay, S.; Greene, A. M.; Hassard, J. F.; Lieske, N. M.; Nash, J.; Payne, D. G.; Phillips, M. J.; Sedgbeer, J. K.; Tomalin, I. R.; Wright, A. G.; Girtler, P.; Kneringer, E.; Kuhn, D.; Rudolph, G.; Bowdery, C. K.; Brodbeck, T. J.; Finch, A. J.; Foster, F.; Hughes, G.; Jackson, D.; Keemer, N. R.; Nuttall, M.; Patel, A.; Sloan, T.; Snow, S. W.; Whelan, E. P.; Kleinknecht, K.; Raab, J.; Renk, B.; Sander, H.-G.; Schmidt, H.; Steeg, F.; Walther, S. M.; Wanke, R.; Wolf, B.; Aubert, J.-J.; Bencheikh, A. M.; Benchouk, C.; Bonissent, A.; Carr, J.; Coyle, P.; Drinkard, J.; Etienne, F.; Nicod, D.; Papalexiou, S.; Payre, P.; Roos, L.; Rousseau, D.; Schwemling, P.; Talby, M.; Adlung, S.; Assmann, R.; Bauer, C.; Blum, W.; Brown, D.; Cattaneo, P.; Dehning, B.; Dietl, H.; Dydak, F.; Frank, M.; Halley, A. W.; Lauber, J.; Lütjens, G.; Lutz, G.; Männer, W.; Richter, R.; Rotscheidt, H.; Schröder, J.; Schwarz, A. S.; Settles, R.; Seywerd, H.; Stierlin, U.; Stiegler, U.; Denis, R. St.; Wolf, G.; Boucrot, J.; Callot, O.; Cordier, A.; Davier, M.; Duflot, L.; Grivaz, J.-F.; Heusse, Ph.; Jaffe, D. E.; Janot, P.; Kim, D. W.; Le Diberder, F.; Lefrançois, J.; Lutz, A.-M.; Schune, M.-H.; Veillet, J.-J.; Videau, I.; Zhang, Z.; Abbaneo, D.; Bagliesi, G.; Batignani, G.; Bosisio, L.; Bottigli, U.; Bozzi, C.; Calderini, G.; Carpinelli, M.; Ciocci, M. A.; Dell'Orso, R.; Ferrante, I.; Fidecaro, F.; Foà, L.; Focardi, E.; Forti, F.; Giassi, A.; Giorgi, M. A.; Gregorio, A.; Ligabue, F.; Mannelli, E. B.; Marrocchesi, P. S.; Messineo, A.; Palla, F.; Rizzo, G.; Sanguinetti, G.; Spagnolo, P.; Steinberger, J.; Tenchini, R.; Tonelli, G.; Triggiani, G.; Vannini, C.; Venturi, A.; Verdini, P. G.; Walsh, J.; Betteridge, A. P.; Carter, J. M.; Green, M. G.; March, P. V.; Mir, Ll. M.; Medcalf, T.; Quazi, I. S.; Strong, J. A.; West, L. R.; Botterill, D. R.; Clifft, R. W.; Edgecock, T. R.; Edwards, M.; Fisher, S. M.; Jones, T. J.; Norton, P. R.; Salmon, D. P.; Thompson, J. C.; Bloch-Devaux, B.; Colas, P.; Duarte, H.; Kozanecki, W.; Lançon, E.; Lemaire, M. C.; Locci, E.; Perez, P.; Perrier, F.; Rander, J.; Renardy, J.-F.; Rosowsky, A.; Roussarie, A.; Schuller, J.-P.; Schwindling, J.; Si Mohand, D.; Vallage, B.; Johnson, R. P.; Litke, A. M.; Taylor, G.; Wear, J.; Ashman, J. G.; Babbage, W.; Booth, C. N.; Buttar, C.; Carney, R. E.; Cartwright, S.; Combley, F.; Hatfield, F.; Thompson, L. F.; Barberio, E.; Böhrer, A.; Brandt, S.; Cowan, G.; Grupen, C.; Lutters, G.; Rivera, F.; Schäfer, U.; Smolik, L.; Della Marina, R.; Giannini, G.; Gobbo, B.; Ragusa, F.; Bellantoni, L.; Chen, W.; Cinabro, D.; Conway, J. S.; Cowen, D. F.; Feng, Z.; Ferguson, D. P. S.; Gao, Y. S.; Grahl, J.; Harton, J. L.; Jared, R. C.; Leclaire, B. W.; Lishka, C.; Pan, Y. B.; Pater, J. R.; Saadi, Y.; Sharma, V.; Schmitt, M.; Shi, Z. H.; Walsh, A. M.; Weber, F. V.; Lan Wu, Sau; Wu, X.; Zheng, M.; Zobernig, G.; Aleph Collaboration

1993-06-01

The strong coupling constant is determined from the leptonic branching ratios, the lifetime, and the invariant mass distribution of the hadronic final state of the τ lepton, using data accumulated at LEP with the ALEPH detector. The strong coupling constant measurement, αs( mτ2) = 0.330±0.046, evolved to the Z mass yields αs( MZ2) = 0.188±0.005. The error includes experimental and theoretical uncertainties, the latter evaluated in the framework of the Shifman, Vainshtein and Zakharov (SVZ) approach. The method allows the non-perturbative contribution to the hadronic decay rate to be determined to be 0.3±0.5%.

Hyperfine structure investigation of the first excited state 4Isub(13/2) (5,418-1) in Holmium-165 by the atomic beam resonance method

International Nuclear Information System (INIS)

Aldenhoven, R.

1976-01-01

By the method of atomic beam resonance the hyperfine structure of the first excited state 4 Isub(13/2) (5418 cm -1 ) of 165 Holmium was studied for the first time. Using a suitable ΔF = 0 transition, the gsub(J)-factor was measured. After a determination of estimates for the hyperfine constants A and B from two suitably chosen ΔF = 0 transitions, the hyperfine splittings have been measured. (orig./WL) [de

Non-minimally coupled varying constants quantum cosmologies

International Nuclear Information System (INIS)

Balcerzak, Adam

2015-01-01

We consider gravity theory with varying speed of light and varying gravitational constant. Both constants are represented by non-minimally coupled scalar fields. We examine the cosmological evolution in the near curvature singularity regime. We find that at the curvature singularity the speed of light goes to infinity while the gravitational constant vanishes. This corresponds to the Newton's Mechanics limit represented by one of the vertex of the Bronshtein-Zelmanov-Okun cube [1,2]. The cosmological evolution includes both the pre-big-bang and post-big-bang phases separated by the curvature singularity. We also investigate the quantum counterpart of the considered theory and find the probability of transition of the universe from the collapsing pre-big-bang phase to the expanding post-big-bang phase

Searching for an oscillating massive scalar field as a dark matter candidate using atomic hyperfine frequency comparisons

OpenAIRE

Hees, A.; Guéna, J.; Abgrall, M.; Bize, S.; Wolf, P.

2016-01-01

We use six years of accurate hyperfine frequency comparison data of the dual rubidium and caesium cold atom fountain FO2 at LNE-SYRTE to search for a massive scalar dark matter candidate. Such a scalar field can induce harmonic variations of the fine structure constant, of the mass of fermions and of the quantum chromodynamic mass scale, which will directly impact the rubidium/caesium hyperfine transition frequency ratio. We find no signal consistent with a scalar dark matter candidate but pr...

Reanalysis and extension of the MnH A7Π- X7Σ + (0, 0) band: Fine structure and hyperfine-induced rotational branches

Science.gov (United States)

Varberg, Thomas D.; Gray, Jeffrey A.; Field, Robert W.; Merer, Anthony J.

1992-12-01

The A7Π- X7Σ + (0, 0) band of MnH at 568 nm has been recorded by laser fluorescence excitation spectroscopy. The original rotational analysis of Nevin [ Proc. R. Irish Acad.48A, 1-45 (1942); 50A, 123-137 (1945)] has been extended with some corrections at low J. Systematic internal hyperfine perturbations in the X7Σ + state, caused by the Δ N = 0, Δ J = ±1 matrix elements of the 55Mn hyperfine term in the Hamiltonian, have been observed in all seven electron spin components over the entire range of N″ studied. These perturbations destroy the "goodness" of J″ as a quantum number, giving rise to hyperfine-induced Δ J = ±2 rotational branches and to observable energy shifts of the most severely affected levels. The A7Π state, with A = 40.5 cm -1 and B = 6.35 cm -1, evolves rapidly from Hund's case ( a) to case ( b) coupling, which produces anomalous branch patterns at low J. A total of 156 rotational branches have been identified and fitted by least squares to an effective Hamiltonian, providing precise values for the rotational and fine structure constants. Values of the principal constants determined in the fit are (1σ errors in units of the last digit are listed in parentheses): The fine structures of the A7Π and X7Σ + states confirm the assignment of the A ← X transition as Mn 4 pπ ← 4 sσ in the presence of a spectator, nonbonding Mn 3 d5 ( 6S) open core.

A new scheme for the running coupling constant in gauge theories using Wilson loops

Energy Technology Data Exchange (ETDEWEB)

Kurachi, Masafumi [Los Alamos National Laboratory; Bilgici, Erek [AUSTRIA; Flachi, Antonion [KYOTO UNIV; Itou, Etsuko [KOGAKUIN UNIV; David Lin, C J [NATIONAL CHIAO-TUNG UNIV; Matsufuru, Hideo [KEK; Ohki, Hiroshi [KYOTO UNIV; Onogi, Tetsuya [KYOTO UNIV; Yamazaki, Takeshi [UNIV OF TSUKUBA

2009-01-01

We propose a new renormalization scheme of the running coupling constant in general gauge theories defined by using the Wilson loops. The renormalized coupling constant is obtained from the Cretz ratio in lattice simulations and the corresponding perturbative coefficient at the leading order. The latter calculation is performed by adopting the zeta-function resummation techniques. We make a benchmark test of our scheme in quenched QCD with the plaquette gauge action. The running of the coupling constant is determined by applying the step scaling procedure. Using several methods to improve the statistical accuracy, we show that the running coupling constant can be determined in a wide range of energy scales with relatively small number of gauge configurations.

The hyperfine structure - a message from the inner circle

International Nuclear Information System (INIS)

Sturesson, L.

1992-06-01

Experiment have been performed to determine the lifetimes and the hyperfine structures of excited states in atoms. Decay curves were recorded with the aid of time-resolved laser spectroscopy. From these curves, it was possible to evaluated the lifetimes with high accuracy. In certain cases, the hyperfine structures were also determined with high accuracy form quantum beat signals. The elements studied were lithium, sodium, copper, iron and silver. In favourable cases, the method of delayed coincidence gave uncertainties in lifetime measurements of about 0.5%. The detection of quantum beat signals with frequencies higher than 1 GHz was demonstrated. The effects of non-white excitation and delayed detection on level-crossing signals were also investigated. The method of delayed detection causes a narrowing of the detected signal, though most of the intensity of the signals is lost and it exhibits an oscillatory behaviour due to the gating procedure. The effect of high-intensity beams in combination with optically dense media applied to saturation absorption spectroscopy has been investigated both theoretically and experimentally. In this regime the signals exhibited sharp profiles, with widths narrower than the natural linewidth, duel to the non-linearity of the medium. Also, a strong rejection of the background was achieved. These features make this regime interesting for frequency stabilization purpose. Using wavefunctions calculated with the multi-configuration Hartree-Fock method, the hyperfine structure interaction constants of the 3s 2 S and the 3p 2 P states in 23 Na and the 3s3p 1.3 P and the 3s3d 1.3 D states in 25 Mg, the only stable isotope of magnesium with a hyperfine structure, were determined. (62 refs.) (au)

Elucidation of electronic structure by the analysis of hyperfine interactions: The MnH A 7Π-X 7Sigma + (0,0) band

Science.gov (United States)

Varberg, Thomas D.; Field, Robert W.; Merer, Anthony J.

1991-08-01

We present a complete analysis of the hyperfine structure of the MnH A 7Π-X 7Σ+ (0,0) band near 5680 Å, studied with sub-Doppler resolution by intermodulated fluorescence spectroscopy. Magnetic hyperfine interactions involving both the 55Mn (I=5/2) and 1H (I=1/2) nuclear spins are observed as well as 55Mn electric quadrupole effects. The manganese Fermi contact interaction in the X 7Σ+ state is the dominant contributor to the observed hyperfine splittings; the ΔF=0, ΔN=0, ΔJ=±1 matrix elements of this interaction mix the electron spin components of the ground state quite strongly at low N, destroying the ``goodness'' of J as a quantum number and inducing rotationally forbidden, ΔJ=±2 and ±3 transitions. The hyperfine splittings of over 50 rotational transitions covering all 7 spin components of both states were analyzed and fitted by least squares, allowing the accurate determination of 14 different hyperfine parameters. Using single electronic configurations to describe the A 7Π and X 7Σ+ states and Herman-Skillman atomic radial wave functions to represent the molecular orbitals, we calculated a priori values for the 55Mn and 1H hyperfine parameters which agree closely with experiment. We show that the five high-spin coupled Mn 3d electrons do not contribute to the manganese hyperfine structure but are responsible for the observed proton magnetic dipolar couplings. Furthermore, the results suggest that the Mn 3d electrons are not significantly involved in bonding and demonstrate that the molecular hyperfine interactions may be quantitatively understood using simple physical interpretations.

Hyperfine structure in 5s4d 3D-5snf transitions of 87Sr

International Nuclear Information System (INIS)

Bushaw, B.A.; Kluge, H.J.; Lantzsch, J.; Schwalbach, R.; Stenner, J.; Stevens, H.; Wendt, K.; Zimmer, K.

1993-01-01

The hyperfine spectra of the 5s4d 3 D 1 -5s20f, 5s4d 3 D 2 -5s23f, and 5s4d 3 D 3 -5s32f transitions of 87 Sr (I=9/2) have been measured by collinear fast beam laser spectroscopy. The structure in the upper configurations is highly perturbed by fine structure splitting that is of comparable size to the hyperfine interaction energy. These perturbations can be adequately treated with conventional matrix diagonalization methods, using the 5s-electron magnetic dipole interaction term a 5s and the unperturbed fine structure splittings as input parameters. Additionally, hyperfine constants for the lower 5s4d 3 D configurations, including the A- and B-factors and a separation of the individual s- and d-electron contributions to these factors, are derived. (orig.)

Goldberger-Treiman constraint criterion for hyperon coupling constants

International Nuclear Information System (INIS)

General, Ignacio J.; Cotanch, Stephen R.

2004-01-01

The generalized Goldberger-Treiman relation is combined with the Dashen-Weinstein sum rule to provide a constraint equation between the g KΣN and g KΛN coupling constants. A comprehensive examination of the published phenomenological and theoretical hyperon couplings has yielded a much smaller set of values, spanning the intervals 0.80≤g KΣN /√(4π)≤2.72 and -3.90≤g KΛN /√(4π)≤-1.84, consistent with this criterion. The broken SU F (3) and Goldberger-Treiman hyperon couplings satisfy the constraint along with predictions from a Taylor series extrapolation using the same momentum variation as exhibited by g πNN

New QCD sum rules for nucleon axial-vector coupling constants

International Nuclear Information System (INIS)

Lee, F.X.; Leinweber, D.B.; Jin, X.

1997-01-01

Two new sets of QCD sum rules for the nucleon axial-vector coupling constants are derived using the external-field technique and generalized interpolating fields. An in-depth study of the predicative ability of these sum rules is carried out using a Monte Carlo based uncertainty analysis. The results show that the standard implementation of the QCD sum rule method has only marginal predicative power for the nucleon axial-vector coupling constants, as the relative errors are large. The errors range from approximately 50% to 100% compared to the nucleon mass obtained from the same method, which has only a 10%- 25% error. The origin of the large errors is examined. Previous analyses of these coupling constants are based on sum rules that have poor operator product expansion convergence and large continuum contributions. Preferred sum rules are identified and their predictions are obtained. We also investigate the new sum rules with an alternative treatment of the problematic transitions which are not exponentially suppressed in the standard treatment. The alternative treatment provides exponential suppression of their contributions relative to the ground state. Implications for other nucleon current matrix elements are also discussed. copyright 1997 The American Physical Society

Quark color-hyperfine interactions in baryons

International Nuclear Information System (INIS)

Anselmino, M.; Lichtenberg, D.B.

1990-01-01

We consider the contribution from the color-hyperfine interaction to the energies of groundstate hadrons, with an emphasis on baryons. We use experimental information about how the color-hyperfine term depends on flavor to make predictions about the masses of baryons containing a heavy quark. We then generalize some relations between color-hyperfine matrix elements in mesons and baryons to obtain a number of additional predictions about the masses of as-yet unobserved baryons. Most of our predictions are in the form of inequalities. (orig.)

Investigation of the hyperfine structure of Praseodymium-transitions using laser spectroscopy

International Nuclear Information System (INIS)

Shamim Khan

2011-01-01

A comprehensive knowledge of the electron levels in an atom is one of the prerequisite for understanding the electron-electron and electron-nucleus interactions inside an atom and for the classification of the atomic spectrum of an element. The spin-orbit interaction is the largest relativistic effect and is responsible for the fine structure splitting in an atom. The hyperfine structure splitting of the fine structure atomic energy levels arise as a result of the interaction between spinning and orbiting electrons and electromagnetic multipole nuclear moments. The electronic ground state configuration of praseodymium 59 Pr 141 is [Xe] 4f 3 6s 2 , with ground state level 4 I 9/2 . Because of its 5 outer electrons Praseodymium has a high density of energy levels which give rise to an extremely line rich emission spectrum. Due to this fact praseodymium serves as an efficient testing ground for hyperfine structure studies. The thesis is mainly devoted to the finding of previously unknown energy levels by the investigation of spectral lines and their hyperfine structures. In a hollow cathode discharge lamp praseodymium atoms and ions in ground and excited states are excited to high lying states by laser light. The excitation source is a tunable ring-dye laser system, operated with Stilbene 3, Rhodamine 6G, Kiton Red, DCM and LD 700. A high resolution Fourier Transform spectrum is used for extracting excitation wavelengths. Then the laser wavelength is tuned to a strong hyperfine component of the spectral line to be investigated, and a search for fluorescence from excited levels is performed. From the observed hyperfine structure pattern, J-values and hyperfine interaction constants A of the combining levels are determined. This information, together with excitation and fluorescence wavelengths, allows us to find the energies of the involved levels. During the course of this dissertation 313 new energy levels of Pr I and 4 new energy levels of Pr II were discovered

Number of generations related to coupling constants by confusion

International Nuclear Information System (INIS)

Bennett, D.L.; Nielsen, H.B.

1987-01-01

In the context of random dynamics, the mechanism of confusion is used to obtain a relation between the number of generations and standard model coupling constants. Preliminary results predict the existence of four generations. (orig.)

The variation of the fine-structure constant from disformal couplings

Energy Technology Data Exchange (ETDEWEB)

De Bruck, Carsten van; Mifsud, Jurgen [Consortium for Fundamental Physics, School of Mathematics and Statistics, University of Sheffield, Hounsfield Road, Sheffield S3 7RH (United Kingdom); Nunes, Nelson J., E-mail: c.vandebruck@sheffield.ac.uk, E-mail: jmifsud1@sheffield.ac.uk, E-mail: njnunes@fc.ul.pt [Instituto de Astrofísica e Ciências do Espaço, Faculdade de Ciências da Universidade de Lisboa, Campo Grande, PT1749-016 Lisboa (Portugal)

2015-12-01

We study a theory in which the electromagnetic field is disformally coupled to a scalar field, in addition to a usual non-minimal electromagnetic coupling. We show that disformal couplings modify the expression for the fine-structure constant, α. As a result, the theory we consider can explain the non-zero reported variation in the evolution of α by purely considering disformal couplings. We also find that if matter and photons are coupled in the same way to the scalar field, disformal couplings itself do not lead to a variation of the fine-structure constant. A number of scenarios are discussed consistent with the current astrophysical, geochemical, laboratory and the cosmic microwave background radiation constraints on the cosmological evolution of α. The models presented are also consistent with the current type Ia supernovae constraints on the effective dark energy equation of state. We find that the Oklo bound in particular puts strong constraints on the model parameters. From our numerical results, we find that the introduction of a non-minimal electromagnetic coupling enhances the cosmological variation in α. Better constrained data is expected to be reported by ALMA and with the forthcoming generation of high-resolution ultra-stable spectrographs such as PEPSI, ESPRESSO, and ELT-HIRES. Furthermore, an expected increase in the sensitivity of molecular and nuclear clocks will put a more stringent constraint on the theory.

The variation of the fine-structure constant from disformal couplings

International Nuclear Information System (INIS)

De Bruck, Carsten van; Mifsud, Jurgen; Nunes, Nelson J.

2015-01-01

We study a theory in which the electromagnetic field is disformally coupled to a scalar field, in addition to a usual non-minimal electromagnetic coupling. We show that disformal couplings modify the expression for the fine-structure constant, α. As a result, the theory we consider can explain the non-zero reported variation in the evolution of α by purely considering disformal couplings. We also find that if matter and photons are coupled in the same way to the scalar field, disformal couplings itself do not lead to a variation of the fine-structure constant. A number of scenarios are discussed consistent with the current astrophysical, geochemical, laboratory and the cosmic microwave background radiation constraints on the cosmological evolution of α. The models presented are also consistent with the current type Ia supernovae constraints on the effective dark energy equation of state. We find that the Oklo bound in particular puts strong constraints on the model parameters. From our numerical results, we find that the introduction of a non-minimal electromagnetic coupling enhances the cosmological variation in α. Better constrained data is expected to be reported by ALMA and with the forthcoming generation of high-resolution ultra-stable spectrographs such as PEPSI, ESPRESSO, and ELT-HIRES. Furthermore, an expected increase in the sensitivity of molecular and nuclear clocks will put a more stringent constraint on the theory

Fine- and hyperfine structure investigations of the even-parity configuration system of the atomic holmium

Science.gov (United States)

Stefanska, D.; Ruczkowski, J.; Elantkowska, M.; Furmann, B.

2018-04-01

In this work new experimental results concerning the hyperfine structure (hfs) for the even-parity level system of the holmium atom (Ho I) were obtained; additionally, hfs data obtained recently as a by-product in investigations of the odd-parity level system were summarized. In the present work the values of the magnetic dipole and the electric quadrupole hfs constants A and B were determined for 24 even-parity levels, for 14 of them for the first time. On the basis of these results, as well as on available literature data, a parametric study of the fine structure and the hyperfine structure for the even-parity configurations of atomic holmium was performed. A multi-configuration fit of 7 configurations was carried out, taking into account second-order of the perturbation theory. For unknown electronic levels predicted values of the level energies and hfs constants are given, which can facilitate further experimental investigations.

Determination of the pion-nucleon coupling constant

International Nuclear Information System (INIS)

Samaranayake, V.K.

1977-06-01

Forward dispersion relations are used to determine the pion-nucleon coupling constant and S-wave scattering lengths using a least squares fit with additional parameters introduced to take account of the uncertainties in the calculation of dispersion integrals. The values obtained are: f 2 = (78.0+- 2.1).10 -3 , a 1 -a 3 = (272.4+- 12.3).10 -3 , a 1 +2a 3 = (15.1+-10.4).10 -3

Experimental test of the flavor independence of the quark-gluon coupling constant

International Nuclear Information System (INIS)

Althoff, M.; Braunschweig, W.; Kirschfink, F.J.; Luebelsmeyer, K.; Martyn, H.U.; Rimkus, J.; Rosskamp, P.; Sander, H.G.; Schmitz, D.; Siebke, H.; Wallraff, W.; Duchovni, E.; Karshon, U.; Mikenberg, G.; Mir, R.; Revel, D.; Ronat, E.; Shapira, A.; Yekutieli, G.; Baranko, G.; Barklow, T.; Caldwell, A.; Cherney, M.; Izen, J.M.; Mermikides, M.; Rudolph, G.; Strom, D.; Takashima, M.; Venkataramania, H.; Wicklund, E.; Sau Lan Wu; Zobernig, G.; Eisenberg, Y.; Eskreys, A.; Gather, K.; Hultschig, H.; Joos, P.; Koetz, U.; Kowalski, H.; Ladage, A.; Loehr, B.; Lueke, D.; Maettig, P.; Maettig, P.; Notz, D.; Nowak, R.J.; Pyrlik, J.; Rushton, M.; Schuette, W.; Trines, D.; Wolf, G.; Xiao, C.

1984-01-01

Reconstruction of charged Dsup(*)'s produced inclusively in e + e - annhilations at c.m. energies near 34.4 GeV is accomplished in the decay modes Dsup(*+) -> D 0 π + -> K - π + π 0 π + and Dsup(*+) -> D 0 π + -> K - π + π - π + π + and their charge conjugates. Using these and previously reported Dsup(*+) -> D 0 π + -> K - π + π + and Dsup(*+) -> D 0 π + -> K - π + π + + missing π 0 channels we present evidence for hard gluon bremsstrahlung from charm quarks and show that the ratio of the quark-gluon coupling constant of charm quarks to the coupling constant obtained in the average hadronic event, αsub(s)sup(c)/αsub(s) = 1.00 +- 0.20 +- 0.20. Our result provides evidence that the quark-gluon coupling constant is independent of flavor. (orig.)

Calculation of nuclear spin-spin coupling constants using frozen density embedding

Energy Technology Data Exchange (ETDEWEB)

Götz, Andreas W., E-mail: agoetz@sdsc.edu [San Diego Supercomputer Center, University of California San Diego, 9500 Gilman Dr MC 0505, La Jolla, California 92093-0505 (United States); Autschbach, Jochen [Department of Chemistry, University at Buffalo, State University of New York, Buffalo, New York 14260-3000 (United States); Visscher, Lucas, E-mail: visscher@chem.vu.nl [Amsterdam Center for Multiscale Modeling (ACMM), VU University Amsterdam, Theoretical Chemistry, De Boelelaan 1083, 1081 HV Amsterdam (Netherlands)

2014-03-14

We present a method for a subsystem-based calculation of indirect nuclear spin-spin coupling tensors within the framework of current-spin-density-functional theory. Our approach is based on the frozen-density embedding scheme within density-functional theory and extends a previously reported subsystem-based approach for the calculation of nuclear magnetic resonance shielding tensors to magnetic fields which couple not only to orbital but also spin degrees of freedom. This leads to a formulation in which the electron density, the induced paramagnetic current, and the induced spin-magnetization density are calculated separately for the individual subsystems. This is particularly useful for the inclusion of environmental effects in the calculation of nuclear spin-spin coupling constants. Neglecting the induced paramagnetic current and spin-magnetization density in the environment due to the magnetic moments of the coupled nuclei leads to a very efficient method in which the computationally expensive response calculation has to be performed only for the subsystem of interest. We show that this approach leads to very good results for the calculation of solvent-induced shifts of nuclear spin-spin coupling constants in hydrogen-bonded systems. Also for systems with stronger interactions, frozen-density embedding performs remarkably well, given the approximate nature of currently available functionals for the non-additive kinetic energy. As an example we show results for methylmercury halides which exhibit an exceptionally large shift of the one-bond coupling constants between {sup 199}Hg and {sup 13}C upon coordination of dimethylsulfoxide solvent molecules.

Theoretical study of hyperfine interactions and optically detected magnetic resonance spectra by simulation of the C291[NV]-H172 diamond cluster hosting nitrogen-vacancy center

International Nuclear Information System (INIS)

Nizovtsev, A P; Ya Kilin, S; Pushkarchuk, A L; Pushkarchuk, V A; Jelezko, F

2014-01-01

Single nitrogen-vacancy (NV) centers in diamond coupled to neighboring nuclear spins are promising candidates for room-temperature applications in quantum information processing, quantum sensing and metrology. Here we report on a systematic density functional theory simulation of hyperfine coupling of the electronic spin of the NV center to individual 13 C nuclear spins arbitrarily disposed in the H-terminated C 291 [NV] - H 172 cluster hosting the NV center. For the ‘families’ of equivalent positions of the 13 C atom in diamond lattices around the NV center we calculated hyperfine characteristics. For the first time the data are given for a system where the 13 C atom is located on the NV center symmetry axis. Electron paramagnetic resonance transitions in the coupled electron–nuclear spin system 14 NV- 13 C are analyzed as a function of the external magnetic field. Previously reported experimental data from Dréau et al (2012 Phys. Rev. B 85 134107) are described using simulated hyperfine coupling parameters. (paper)

Coupling constant corrections in a holographic model of heavy ion collisions

NARCIS (Netherlands)

Grozdanov, Sašo; Schee, Wilke van der

2017-01-01

We initiate a holographic study of coupling-dependent heavy ion collisions by analysing for the first time the effects of leading-order, inverse coupling constant corrections. In the dual description, this amounts to colliding gravitational shock waves in a theory with curvature-squared terms. We

Development of atomic spectroscopy technologies - Hyperfine structure of 2 period atoms using optogalvanic effects

Energy Technology Data Exchange (ETDEWEB)

Kwon, Nam Ic [Hankuk University of foreign studies, Seoul (Korea)

2000-03-01

The source of anomalous broad linewidth of 3{sup 3}P{sub 1},{sub 2},{sub 3}-3{sup 3}D{sub 2},{sub 3},4(3s') transition was explained. The broad optogalvanic spectrum was consisted of two gaussian peaks of different linewidths, and they are separated by 250 MHz. The Narrow peak, which has linewidth of room temperature, is from oxygen atoms already separated, and the shifted broad peak, which has linewidth corresponding to a temperature of 9000 K, is from weakly bound molecular ions. Obtained hyperfine spectrum of fluorine atom at the expected frequency, was too weak to analyze hyperfine structure constants. Microwave discharge might be necessary for higher density of excited state. 16 refs., 11 figs. (Author)

Hyperfine magnetic fields in substituted Finemet alloys

Energy Technology Data Exchange (ETDEWEB)

Brzózka, K., E-mail: k.brzozka@uthrad.pl [University of Technology and Humanities in Radom, Department of Physics (Poland); Sovák, P. [P.J. Šafárik University, Institute of Physics (Slovakia); Szumiata, T.; Gawroński, M.; Górka, B. [University of Technology and Humanities in Radom, Department of Physics (Poland)

2016-12-15

Transmission Mössbauer spectroscopy was used to determine the hyperfine fields of Finemet-type alloys in form of ribbons, substituted alternatively by Mn, Ni, Co, Al, Zn, V or Ge of various concentration. The comparative analysis of magnetic hyperfine fields was carried out which enabled to understand the role of added elements in as-quenched as well as annealed samples. Moreover, the influence of the substitution on the mean direction of the local hyperfine magnetic field was examined.

Dephasing and hyperfine interaction in carbon nanotubes double quantum dots

DEFF Research Database (Denmark)

Reynoso, Andres Alejandro; Flensberg, Karsten

2012-01-01

We study theoretically the return probability experiment, which is used to measure the dephasing time T-2*, in a double quantum dot (DQD) in semiconducting carbon nanotubes with spin-orbit coupling and disorder-induced valley mixing. Dephasing is due to hyperfine interaction with the spins of the C...... with these for DQDs in clean nanotubes, whereas the disorder effect is always relevant when the magnetic field is perpendicular to the nanotube axis....

String-coupling constant and dilaton vacuum expectation value in string field theory

International Nuclear Information System (INIS)

Yoneya, Tamiaki

1987-01-01

In the first quantized approaches to strings, it is well known that the string-coupling constant is determined by the vacuum expectation value of the dilaton field. This property, however, has never been demonstrated within the framework of string field theory. An explicit reparametrization of the string field associated with the shifts of the dilaton vacuum expectation value and the string-coupling constant is constructed exhibiting the above property in the light-cone field theory of the closed bosonic string. (orig.)

Coupling constants and the nonrelativistic quark model with charmonium potential

International Nuclear Information System (INIS)

Chaichian, M.; Koegerler, R.

1978-01-01

Hadronic coupling constants of the vertices including charm mesons are calculated in a nonrelativistic quark model. The wave functions of the mesons which enter the corresponding overlap integrals are obtained from the charmonium picture as quark-antiquark bound state solutions of the Schroedinger equation. The model for the vertices takes into account in a dynamical way the SU 4 breakings through different masses of quarks and different wave functions in the overlap integrals. All hadronic vertices involving scalar, pseudoscalar, vector, pseudovector and tensor mesons are calculated up to an overall normalization constant. Regularities among the couplings of mesons and their radial excitations are observed: i) Couplings decrease with increasing order of radial excitations; ii) In general they change sign if a particle is replaced by its next radial excitation. The k-dependence of the vertices is studied. This has potential importance in explaining the unorthodox ratios in different decay channels. Having got the hadronic couplings radiative transitions are obtained with the current coupled to mesons and their recurrences. The resulting width values are smaller than those conventionally obtained in the naive quark model. The whole picture is only adequate for nonrelativistic configurations, as for the members of the charmonium- or of the UPSILON-family and most calculations have been done for transitions among charmed states. To see how far nonrelativistic concepts can be applied, couplings of light mesons are also considered. (author)

Fine- and hyperfine-structure effects in molecular photoionization. II. Resonance-enhanced multiphoton ionization and hyperfine-selective generation of molecular cations

Energy Technology Data Exchange (ETDEWEB)

Germann, Matthias; Willitsch, Stefan, E-mail: stefan.willitsch@unibas.ch [Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland)

2016-07-28

Resonance-enhanced multiphoton ionization (REMPI) is a widely used technique for studying molecular photoionization and producing molecular cations for spectroscopy and dynamics studies. Here, we present a model for describing hyperfine-structure effects in the REMPI process and for predicting hyperfine populations in molecular ions produced by this method. This model is a generalization of our model for fine- and hyperfine-structure effects in one-photon ionization of molecules presented in Paper I [M. Germann and S. Willitsch, J. Chem. Phys. 145, 044314 (2016)]. This generalization is achieved by covering two main aspects: (1) treatment of the neutral bound-bound transition including the hyperfine structure that makes up the first step of the REMPI process and (2) modification of our ionization model to account for anisotropic populations resulting from this first excitation step. Our findings may be used for analyzing results from experiments with molecular ions produced by REMPI and may serve as a theoretical background for hyperfine-selective ionization experiments.

Hyperfine structure of 147,149Sm measured using saturated absorption spectroscopy in combination with resonance-ionization mass spectroscopy

International Nuclear Information System (INIS)

Park, Hyunmin; Lee, Miran; Rhee, Yongjoo

2003-01-01

The hyperfine structures of four levels of the Sm isotopes have been measured by means of diode-laser-based Doppler-free saturated absorption spectroscopy in combination with a diode-laser-initiated resonance-ionization mass spectroscopy. It was demonstrated that combining the two spectroscopic methods was very effective for the identification and accurate measurement of the spectral lines of atoms with several isotopes, such as the rare-earth elements. From the obtained spectra, the hyperfine constants A and B for the odd-mass isotopes 147 Sm and 149 Sm were determined for four upper levels of the studied transitions.

Hyperfine structure analysis in magnetic resonance spectroscopy: from astrophysical measurements towards endogenous biosensors in human tissue

International Nuclear Information System (INIS)

Schroeder, L.; California Univ., Berkeley, CA; Lawrence Berkeley National Lab., Berkeley, CA

2007-01-01

The hyperfine interaction of two spins is a well studied effect in atomic systems. Magnetic resonance experiments demonstrate that the detectable dipole transitions are determined by the magnetic moments of the constituents and the external magnetic field. Transferring the corresponding quantum mechanics to molecular bound nuclear spins allows for precise prediction of NMR spectra obtained from metabolites in human tissue. This molecular hyperfine structure has been neglected so far in in vivo NMR spectroscopy but contains useful information, especially when studying molecular dynamics. This contribution represents a review of the concept of applying the Breit-Rabi formalism to coupled nuclear spins and discusses the immobilization of different metabolites in anisotropic tissue revealed by 1H NMR spectra of carnosine, phosphocreatine and taurine. Comparison of atomic and molecular spin systems allows for statements on the biological constraints for direct spin-spin interactions. Moreover, the relevance of hyperfine effects on the line shapes of multiplets of indirectly-coupled spin systems with more than two constituents can be predicted by analyzing quantum mechanical parameters. As an example, the superposition of eigenstates of the AMX system of adenosine 5'-triphosphate and its application for better quantification of 31P-NMR spectra will be discussed. (orig.)

[Hyperfine structure analysis in magnetic resonance spectroscopy: from astrophysical measurements towards endogenous biosensors in human tissue].

Science.gov (United States)

Schröder, Leif

2007-01-01

The hyperfine interaction of two spins is a well studied effect in atomic systems. Magnetic resonance experiments demonstrate that the detectable dipole transitions are determined by the magnetic moments of the constituents and the external magnetic field. Transferring the corresponding quantum mechanics to molecular bound nuclear spins allows for precise prediction of NMR spectra obtained from metabolites in human tissue. This molecular hyperfine structure has been neglected so far in in vivo NMR spectroscopy but contains useful information, especially when studying molecular dynamics. This contribution represents a review of the concept of applying the Breit-Rabi formalism to coupled nuclear spins and discusses the immobilization of different metabolites in anisotropic tissue revealed by 1H NMR spectra of carnosine, phosphocreatine and taurine. Comparison of atomic and molecular spin systems allows for statements on the biological constraints for direct spin-spin interactions. Moreover, the relevance of hyperfine effects on the line shapes of multiplets of indirectly-coupled spin systems with more than two constituents can be predicted by analyzing quantum mechanical parameters. As an example, the superposition of eigenstates of the A MX system of adenosine 5'-triphosphate and its application for better quantification of 31P-NMR spectra will be discussed.

Matrix elements of hyperfine structure operators in the SL and jj representations for the s, pN, and dN configurations and the SL-jj transformation

International Nuclear Information System (INIS)

Childs, W.J.

1997-01-01

Matrix elements of the hyperfine operators corresponding to the magnetic-dipole (A) and electric-quadrupole (B) hyperfine structures constants are given as linear combinations of the appropriate radial integrals for all states of the s, p N , and d N configurations in both the SL and pure jj representations. The associated SL-jj transformations are also given. 13 refs., 10 tabs

Precise strength of the $\\pi$NN coupling constant

CERN Document Server

Ericson, Torleif Eric Oskar; Rahm, J; Blomgren, J; Olsson, N; Thomas, A W

1998-01-01

We report here a preliminary value for the piNN coupling constant deduced from the GMO sumrule for forward piN scattering. As in our previous determination from np backward differential scattering cross sections we give a critical discussion of the analysis with careful attention not only to the statistical, but also to the systematic uncertainties. Our preliminary evaluation gives $g^2_c$(GMO) = 13.99(24).

Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion.

Science.gov (United States)

Soudackov, Alexander V; Hammes-Schiffer, Sharon

2015-11-21

Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency proton donor-acceptor vibrational modes. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term in the framework of the cumulant expansion framework may significantly impact the rate constants at high temperatures for proton transfer interfaces with soft proton donor-acceptor modes that are associated with small force constants and weak hydrogen bonds. The effects of the quadratic term may also become significant in these regimes when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant. In this case, however, the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances sampled. The effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances. Additionally, the rigorous relation between the cumulant expansion and thermal averaging approaches is clarified. In particular, the cumulant expansion rate constant includes effects from dynamical interference between the proton donor-acceptor and solvent motions and becomes equivalent to the thermally averaged rate constant when these dynamical effects are neglected. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton

Nonadiabatic rate constants for proton transfer and proton-coupled electron transfer reactions in solution: Effects of quadratic term in the vibronic coupling expansion

International Nuclear Information System (INIS)

Soudackov, Alexander V.; Hammes-Schiffer, Sharon

2015-01-01

Rate constant expressions for vibronically nonadiabatic proton transfer and proton-coupled electron transfer reactions are presented and analyzed. The regimes covered include electronically adiabatic and nonadiabatic reactions, as well as high-frequency and low-frequency proton donor-acceptor vibrational modes. These rate constants differ from previous rate constants derived with the cumulant expansion approach in that the logarithmic expansion of the vibronic coupling in terms of the proton donor-acceptor distance includes a quadratic as well as a linear term. The analysis illustrates that inclusion of this quadratic term in the framework of the cumulant expansion framework may significantly impact the rate constants at high temperatures for proton transfer interfaces with soft proton donor-acceptor modes that are associated with small force constants and weak hydrogen bonds. The effects of the quadratic term may also become significant in these regimes when using the vibronic coupling expansion in conjunction with a thermal averaging procedure for calculating the rate constant. In this case, however, the expansion of the coupling can be avoided entirely by calculating the couplings explicitly for the range of proton donor-acceptor distances sampled. The effects of the quadratic term for weak hydrogen-bonding systems are less significant for more physically realistic models that prevent the sampling of unphysical short proton donor-acceptor distances. Additionally, the rigorous relation between the cumulant expansion and thermal averaging approaches is clarified. In particular, the cumulant expansion rate constant includes effects from dynamical interference between the proton donor-acceptor and solvent motions and becomes equivalent to the thermally averaged rate constant when these dynamical effects are neglected. This analysis identifies the regimes in which each rate constant expression is valid and thus will be important for future applications to proton

Capillary electrophoresis - inductively coupled plasma mass spectrometry (CE-ICPMS) coupling to assess pentavalent actinides thermodynamic constants

International Nuclear Information System (INIS)

Topin, S.; Baglan, N.; Aupiais, J.

2009-01-01

Full text: Aiming to investigate plutonium speciation at trace levels, we coupled capillary electrophoresis, a high resolution separation technique with inductively coupled plasma mass spectrometry, a detector with high sensitivity for plutonium. The research work performed to optimize the coupling is discussed based on the following criteria: the migration time, the resolution and the detection limit. The capabilities of the analytical tool are demonstrated by determining thermodynamic constants for pentavalent plutonium, and neptunium as a reference, in the presence of inorganic ligands. (author)

Hyperfine structure in 5s4d [sup 3]D-5snf transitions of [sup 87]Sr

Energy Technology Data Exchange (ETDEWEB)

Bushaw, B.A. (Pacific Northwest Lab., Richland, WA (United States)); Kluge, H.J. (Mainz Univ. (Germany). Inst. fuer Physik); Lantzsch, J. (Mainz Univ. (Germany). Inst. fuer Physik); Schwalbach, R. (Mainz Univ. (Germany). Inst. fuer Physik); Stenner, J. (Mainz Univ. (Germany). Inst. fuer Physik); Stevens, H. (Mainz Univ. (Germany). Inst. fuer Physik); Wendt, K. (Mainz Univ. (Germany). Inst. fuer Physik); Zimmer, K. (Mainz Univ. (Germany). Inst. fuer Physik)

1993-12-01

The hyperfine spectra of the 5s4d[sup 3]D[sub 1]-5s20f, 5s4d[sup 3]D[sub 2]-5s23f, and 5s4d[sup 3]D[sub 3]-5s32f transitions of [sup 87]Sr (I=9/2) have been measured by collinear fast beam laser spectroscopy. The structure in the upper configurations is highly perturbed by fine structure splitting that is of comparable size to the hyperfine interaction energy. These perturbations can be adequately treated with conventional matrix diagonalization methods, using the 5s-electron magnetic dipole interaction term a[sub 5s] and the unperturbed fine structure splittings as input parameters. Additionally, hyperfine constants for the lower 5s4d[sup 3]D configurations, including the A- and B-factors and a separation of the individual s- and d-electron contributions to these factors, are derived. (orig.)

Strong-coupling constant at three loops in momentum subtraction scheme

International Nuclear Information System (INIS)

Chetyrkin, K.G.; Russian Academy of Sciences, Moscow; Kniehl, B.A.; Steinhauser, M.

2008-12-01

In this paper we compute the three-loop corrections to the β function in a momentum subtraction (MOM) scheme with a massive quark. The calculation is performed in the background field formalism applying asymptotic expansions for small and large momenta. Special emphasis is devoted to the relation between the coupling constant in the MOM and MS schemes as well as their ability to describe the phenomenon of decoupling. It is demonstrated by an explicit comparison that the MS scheme can be consistently used to relate the values of the MOM-scheme strong-coupling constant in the energy regions higher and lower than the massive-quark production threshold. This procedure obviates the necessity to know the full mass dependence of the MOM β function and clearly demonstrates the equivalence of both schemes for the description of physics outside the threshold region. (orig.)

Strong-coupling constant at three loops in momentum subtraction scheme

Energy Technology Data Exchange (ETDEWEB)

Chetyrkin, K.G. [Karlsruhe Univ. (T.H.), Karlsruhe Inst. of Technology (KIT) (Germany). Inst. fuer Theoretische Teilchenphysik]|[Russian Academy of Sciences, Moscow (Russian Federation). Inst. for Nuclear Research; Kniehl, B.A. [Hamburg Univ. (Germany). II. Inst. fuer Theoretische Physik; Steinhauser, M. [Karlsruhe Univ. (T.H.), Karlsruhe Inst. of Technology (KIT) (Germany). Inst. fuer Theoretische Teilchenphysik

2008-12-15

In this paper we compute the three-loop corrections to the {beta} function in a momentum subtraction (MOM) scheme with a massive quark. The calculation is performed in the background field formalism applying asymptotic expansions for small and large momenta. Special emphasis is devoted to the relation between the coupling constant in the MOM and MS schemes as well as their ability to describe the phenomenon of decoupling. It is demonstrated by an explicit comparison that the MS scheme can be consistently used to relate the values of the MOM-scheme strong-coupling constant in the energy regions higher and lower than the massive-quark production threshold. This procedure obviates the necessity to know the full mass dependence of the MOM {beta} function and clearly demonstrates the equivalence of both schemes for the description of physics outside the threshold region. (orig.)

Hyperfine structure measurements of neutral iodine atom (127I) using Fourier Transform Spectrometry

Science.gov (United States)

Ashok, Chilukoti; Vishwakarma, S. R.; Bhatt, Himal; Ankush, B. K.; Deo, M. N.

2018-01-01

We report the hyperfine Structure (hfs) splitting observations of neutral iodine atom (II) in the 6000 - 10,000 cm-1 near infrared spectral region. The measurements were carried out using a high-resolution Fourier Transform Spectrometer (FTS), where an electrodeless discharge lamp (EDL), excited using microwaves, was employed as the light source and InGaAs as the light detector. A specially designed setup was used to lower the plasma temperature of the medium so as to reduce the Doppler width and consequently to increase the spectral resolution of hfs components. A total of 183 lines with hfs splitting have been observed, out of which hfs in 53 spectral lines are reported for the first time. On the basis of hfs analysis, we derived the magnetic dipole and electric quadrupole coupling constants, A and B respectively for 30 even and 30 odd energy levels and are compared with the values available in the literature. New hfs values for 5 even and 4 odd levels are also reported here for the first time.

gVSγ coupling constant in light cone QCD

International Nuclear Information System (INIS)

Aydin, C.; Keskin, F.; Yilmaz, A. H.; Aydin, S. H.

2011-01-01

We recalculated the coupling constants g φσγ , g φa 0 γ , g ωσγ , g a 0 ωγ , g ρσγ , and g a 0 ργ by taking into account the contributions of the three-particle up to twist-4 distribution amplitudes of the photon involving quark-gluon and quark-anti-quark-photon fields in the light-cone sum-rule framework.

Precise strength of the πNN coupling constant

International Nuclear Information System (INIS)

Ericson, T.E.O.; Loiseau, B.; Rahm, J.; Blomgren, J.; Olsson, N.; Thomas, A. W.

1999-01-01

We report here a preliminary value for the πNN coupling constant deduced from the Goldberger-Miyazawa-Oehme sum rule for forward πN scattering. As in our previous determination from np backward differential scattering cross sections we give a critical discussion of the analysis with careful attention not only to the statistical, but also to the systematic uncertainties. Our preliminary evaluation gives g 2 c =13.99(24)

Scale solutions and coupling constant in electrodynamics of vector particles

International Nuclear Information System (INIS)

Arbuzov, B.A.; Boos, E.E.; Kurennoy, S.S.

1980-01-01

A new approach in nonrenormalizable gauge theories is studied, the electrodynamics of vector particles being taken as an example. One and two-loop approximations in Schwinger-Dyson set of equations are considered with account for conditions imposed by gauge invariance. It is shown, that solutions with scale asymptotics can occur in this case but only for a particular value of coupling constant. This value in solutions obtained is close to the value of the fine structure constant α=1/137

The thermal coupling constant and the gap equation in the λ φ 4D model

International Nuclear Information System (INIS)

Ananos, G.N.J.; Malbouisson, A.P.C.; Svaiter, N.F.

1998-05-01

By the concurrent use of two different resummation methods, the composite operator formalism and the Dyson-Schwinger equation, we re-examine the behaviour at finite temperature of the O(N)-symmetric λψ 4 model in a generic D-dimensional Euclidean space. In the cases D = 3 and D = 4, an analysis of the thermal behaviour of the renormalized squared mass and coupling constant are done for all temperatures. It results that the thermal renormalized squared mass is positive and increases monotonically with the temperature. The behavior of the thermal coupling constant is quite different in odd or even dimensional space. In D = 3, the thermal coupling constant decreases up to a minimum value different from zero and ten grows up monotonically as the temperature increases. In the case D = 4, it is found that the thermal renormalized coupling constant tends in the high temperature limit to a constant asymptotic value. Also for general D-dimensional Euclidean space, we are able to obtain a formula for the critical temperature of the second order phase transition. This formula agrees with previous known values at D = 3 and D 4. (author)

Muon capture on nuclei and the induced pseudoscalar coupling constant

International Nuclear Information System (INIS)

Hasinoff, M.D.

1996-11-01

Ordinary and radiative muon capture reactions are reviewed with regards to the evidence for a renormalization of the induced pseudoscalar coupling constant inside the nucleus. Emphasis is placed on the new results which have become available since the WEIN-92 conference. (authors)

Direct determinations of the πNN coupling constants

International Nuclear Information System (INIS)

Ericson, T.E.O.; ); Loiseau, B.

1998-01-01

A novel extrapolation method has been used to deduce directly the charged πNN coupling constant from backward np differential scattering cross sections. The extracted value, g c 2 = 14.52(026)is higher than the indirectly deduced values obtained in nucleon-nucleon energy-dependent partial-wave analyses. Our preliminary direct value from a reanalysis of the GMO sum-rule points to an intermediate value of g c 2 about 13.97(30). (author)

The contribution of axial-vector mesons to hyperfine structure of muonic hydrogen

OpenAIRE

Dorokhov, A. E.; Kochelev, N. I.; Martynenko, A. P.; Martynenko, F. A.; Radzhabov, A. E.

2017-01-01

The contribution from the axial-vector meson exchange to the potential of the muon–proton interaction in muonic hydrogen induced by anomalous axial-vector meson coupling to two photon state is calculated. It is shown that such contribution to the hyperfine splitting in muonic hydrogen is large and important for a comparison with precise experimental data. In the light of our result, the proton radius “puzzle” is discussed.

Freezing of the QCD coupling constant and the pion form factor

International Nuclear Information System (INIS)

Aguilar, A.C.; Mihara, A.; Natale, A.A.

2003-01-01

The possibility that the QCD coupling constant (α s ) has an infrared finite behavior (freezing) has been extensively studied in recent years. We compare phenomenological values of the 'frozen' the QCD running coupling between different classes of solutions obtained through non-perturbative Schwinger-Dyson Equations. With these solutions were computed QCD predictions for the asymptotic pion form factor which, in turn, were compared with experiment. (author)

Hyperfine structure of S-states of muonic tritium

Directory of Open Access Journals (Sweden)

Martynenko F.A.

2017-01-01

Full Text Available On the basis of quasipotential method in quantum electrodynamics we carry out a precise calculation of hyperfine splitting of S-states in muonic tritium. The one-loop and two-loop vacuum polarization corrections, relativistic effects, nuclear structure corrections in first and second orders of perturbation theory are taken into account. The contributions to hyperfine structure are obtained in integral form and calculated analytically and numerically. Obtained results for hyperfine splitting can be used for a comparison with future experimental data of CREMA collaboration.

Magnetic hyperfine field at a Cd impurity diluted in RCo{sub 2} at finite temperatures

Energy Technology Data Exchange (ETDEWEB)

Oliveira, A.L. de, E-mail: alexandre.oliveira@ifrj.edu.br [Instituto Federal de Educação, Ciência e Tecnologia do Rio de Janeiro, Campus Nilópolis – RJ (Brazil); Chaves, C.M., E-mail: cmch@cbpf.br [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro (Brazil); Oliveira, N.A. de [Instituto de Física Armando Dias Tavares, Universidade do Estado do Rio de Janeiro, Rio de Janeiro (Brazil); Troper, A. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro (Brazil)

2015-06-15

The local magnetic moments and the magnetic hyperfine fields at an s–p Cd impurity diluted in inter-metallic Laves phase compounds RCo{sub 2} (R=Gd, Tb) at finite temperatures are calculated. For other rare earth elements (light or heavy) the pure compounds display a magnetic first order transition and are not describable by our formalism. The host has two coupled lattices (R and Co) both having itinerant d electrons but only the rare earth lattice has localized f electrons. They all contribute to the magnetization of the host and also to the local moment and to the magnetic hyperfine field at the impurity. The investigation of magnetic hyperfine field in these materials then provides valuable information on the d-itinerant electrons and also on the localized (4f) magnetic moments. For the d–d electronic interaction we use the Hubbard–Stratonovich identity thus allowing the employment of functional integral in the static saddle point approximation. Our model reproduces quite well the experimental data. - Highlights: • A functional integral method in the static limit, producing site disorder, is used. • The site disorder is treated with the coherent potential approximation (CPA) • A Friedel sum rule gives a self-consistency condition for the impurity energy. • The experimental curve of hyperfine fields×temperature is very well reproduced.

Determination of the pion-nucleon coupling constant and scattering lengths

CERN Document Server

Ericson, Torleif Eric Oskar; Thomas, A W

2002-01-01

We critically evaluate the isovector GMO sum rule for forward pion-nucleon scattering using the recent precision measurements of negatively charged pion-proton and pion-deuteron scattering lengths from pionic atoms. We deduce the charged-pion-nucleon coupling constant, with careful attention to systematic and statistical uncertainties. This determination gives, directly from data a pseudoscalar coupling constant of 14.17+-0.05(statistical)+-0.19(systematic) or a pseudovector one of 0.0786(11). This value is intermediate between that of indirect methods and the direct determination from backward neutron-proton differential scattering cross sections. We also use the pionic atom data to deduce the coherent symmetric and antisymmetric sums of the negatively charged pion-proton and pion-neutron scattering lengths with high precision. The symmetric sum gives 0.0017+-0.0002(statistical)+-0.0008 (systematic) and the antisymmetric one 0.0900+-0.0003(statistical)+-0.0013(systematic), both in units of inverse charged pi...

Spin-state transfer in laterally coupled quantum-dot chains with disorders

International Nuclear Information System (INIS)

Yang Song; Bayat, Abolfazl; Bose, Sougato

2010-01-01

Quantum dot arrays are a promising medium for transferring quantum information between two distant points without resorting to mobile qubits. Here we study the two most common disorders, namely hyperfine interaction and exchange coupling fluctuations, in quantum dot arrays and their effects on quantum communication through these chains. Our results show that the hyperfine interaction is more destructive than the exchange coupling fluctuations. The average optimal time for communication is not affected by any disorder in the system and our simulations show that antiferromagnetic chains are much more resistive than the ferromagnetic ones against both kind of disorders. Even when time modulation of a coupling and optimal control is employed to improve the transmission, the antiferromagnetic chain performs much better. We have assumed the quasistatic approximation for hyperfine interaction and time-dependent fluctuations in the exchange couplings. Particularly for studying exchange coupling fluctuations we have considered the static disorder, white noise, and 1/f noise.

Calculations with spectroscopic accuracy for energies, transition rates, hyperfine interaction constants, and Landé gJ-factors in nitrogen-like Kr XXX

Science.gov (United States)

Wang, K.; Li, S.; Jönsson, P.; Fu, N.; Dang, W.; Guo, X. L.; Chen, C. Y.; Yan, J.; Chen, Z. B.; Si, R.

2017-01-01

Extensive self-consistent multi-configuration Dirac-Fock (MCDF) calculations and second-order many-body perturbation theory (MBPT) calculations are performed for the lowest 272 states belonging to the 2s22p3, 2s2p4, 2p5, 2s22p23l, and 2s2p33l (l=s, p, d) configurations of N-like Kr XXX. Complete and consistent data sets of level energies, wavelengths, line strengths, oscillator strengths, lifetimes, AJ, BJ hyperfine interaction constants, Landé gJ-factors, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), magnetic quadrupole (M2) transition rates among all these levels are given. The present MCDF and MBPT results are compared with each other and with other available experimental and theoretical results. The mean relative difference between our two sets of level energies is only about 0.003% for these 272 levels. The accuracy of the present calculations are high enough to facilitate identification of many observed spectral lines. These accurate data can be served as benchmark for other calculations and can be useful for fusion plasma research and astrophysical applications.

Conditions for the absence of infinite renormalization in masses and coupling constants

International Nuclear Information System (INIS)

Terrab, E.S.C.

1985-01-01

A model of scalar, pseudo-scalar and spin 1/2 particle interaction is studied. After reformulation of the problem in function of auxiliary fields, perturbative calculations up to one loop are developed, finding out certain relations among characteristics constants of system, which assure (until the considered order) the absence of infinite renormalization in masses and coupling constants. (M.C.K.) [pt

Cosmological dynamics with non-minimally coupled scalar field and a constant potential function

International Nuclear Information System (INIS)

Hrycyna, Orest; Szydłowski, Marek

2015-01-01

Dynamical systems methods are used to investigate global behaviour of the spatially flat Friedmann-Robertson-Walker cosmological model in gravitational theory with a non-minimally coupled scalar field and a constant potential function. We show that the system can be reduced to an autonomous three-dimensional dynamical system and additionally is equipped with an invariant manifold corresponding to an accelerated expansion of the universe. Using this invariant manifold we find an exact solution of the reduced dynamics. We investigate all solutions for all admissible initial conditions using theory of dynamical systems to obtain a classification of all evolutional paths. The right-hand sides of the dynamical system depend crucially on the value of the non-minimal coupling constant therefore we study bifurcation values of this parameter under which the structure of the phase space changes qualitatively. We found a special bifurcation value of the non-minimal coupling constant which is distinguished by dynamics of the model and may suggest some additional symmetry in matter sector of the theory

Cosmological dynamics with non-minimally coupled scalar field and a constant potential function

Energy Technology Data Exchange (ETDEWEB)

Hrycyna, Orest [Theoretical Physics Division, National Centre for Nuclear Research, Hoża 69, 00-681 Warszawa (Poland); Szydłowski, Marek, E-mail: orest.hrycyna@ncbj.gov.pl, E-mail: marek.szydlowski@uj.edu.pl [Astronomical Observatory, Jagiellonian University, Orla 171, 30-244 Kraków (Poland)

2015-11-01

Dynamical systems methods are used to investigate global behaviour of the spatially flat Friedmann-Robertson-Walker cosmological model in gravitational theory with a non-minimally coupled scalar field and a constant potential function. We show that the system can be reduced to an autonomous three-dimensional dynamical system and additionally is equipped with an invariant manifold corresponding to an accelerated expansion of the universe. Using this invariant manifold we find an exact solution of the reduced dynamics. We investigate all solutions for all admissible initial conditions using theory of dynamical systems to obtain a classification of all evolutional paths. The right-hand sides of the dynamical system depend crucially on the value of the non-minimal coupling constant therefore we study bifurcation values of this parameter under which the structure of the phase space changes qualitatively. We found a special bifurcation value of the non-minimal coupling constant which is distinguished by dynamics of the model and may suggest some additional symmetry in matter sector of the theory.

Investigation of hyperfine interactions in DNA nitrogenous bases using perturbed angular correlation spectroscopy

International Nuclear Information System (INIS)

Silva, Andreia dos Santos; Carbonari, Artur Wilson; Lapolli, Andre Luis; Saxena, Rajendra Narain; Saitovitch, Henrique

2013-01-01

Perturbed γγ angular correlations (PAC) spectroscopy has been used to study the DNA nitrogenous bases (adenine, cytosine, guanine, thymine), using 111 In→ 111 Cd and 111m Cd→ 111 Cd probe nuclei. One of the advantages of applying PAC technique to biological molecules is that the experiments can be carried out on molecules in aqueous solution [1], approaching the function of molecules under conditions that are close to in vivo conditions. The measurements were carried out for DNA nitrogenous bases molecules at 295 K and 77 K in order to investigate dynamic and static hyperfine interactions, respectively. The interpretation of the results was based on the measurements of dynamic interaction characterized by the decay constant from which valuable information on the macroscopic behavior of the molecules was obtained [2; 3]. On the other hand, PAC measurements at low temperature showed interaction frequency (ν Q ), asymmetry parameter (η) and the distribution of the quadrupole frequency (δ). These parameters provide a local microscopic description of the chemical environment in the neighborhood of the probe nuclei. Results showed differences in the hyperfine interactions of probe nuclei bound to the studied biomolecules. Such differences were observed by variations in the hyperfine parameters, which depended on the type of biomolecule and the results also showed that the probe nuclei bounded at the molecules in some cases and at others did not. (author)

Nuclear hyperfine interactions and chemical bonding in high TC superconductors

International Nuclear Information System (INIS)

Danon, J.

1987-01-01

Nuclear quadrupole resonances of Cu 63 and Fe 57 Moessbauer spectroscopy of the high temperature superconductor YBa 2 Cu 3 O 7-γ e described together with synchrotron radiation studies of the copper oxidation states in this material. The Moessbauer spectra of 57 Fe in the two distinct crystallographic sites of the Cu atoms in YBa 2 Cu 3 O 7-γ are very similar from the quadrupole coupling point of view although exhibiting markedly different values for the isomer shift. The role of oxygen vacancies in the hyperfine interactions is discussed. (author) [pt

Proceedings of the 2nd KUR symposium on hyperfine interactions

International Nuclear Information System (INIS)

Mekata, M.; Minamisono, T.; Kawase, Y.

1991-10-01

Hyperfine interactions between a nuclear spin and an electronic spin discovered from hyperfine splitting in atomic optical spectra have been utilized not only for the determination of nuclear parameters in nuclear physics but also for novel experimental techniques in many fields such as solid state physics, chemistry, biology, mineralogy and for diagnostic methods in medical science. Experimental techniques based on hyperfine interactions yield information about microscopic states of matter so that they are important in material science. Probes for material research using hyperfine interactions have been nuclei in the ground state and radioactive isotopes prepared with nuclear reactors or particle accelerators. But utilization of muons generated from accelerators is recently growing. Such wide spread application of hyperfine interaction techniques gives rise to some difficulty in collaboration among various research fields. In these circumstances, the present workshop was planned after four years since the last KUR symposium on the same subject. This report summarizes the contributions to the workshop in order to be available for the studies of hyperfine interactions. (J.P.N.)

Quadrupole hyperfine structure and splitting of Δ-levels in the microwave spectra of KOH, RbOH and CsOH in the 100 GHz region

International Nuclear Information System (INIS)

Kuijpers, P.; Dymanus, A.; Toerring, T.

1977-01-01

Hyperfine structure of rotational transitions of KOH, RbOH and CsOH in various v 2 - and l-states has been carefully measured in the 100 GHz range. From the observed splittings and broadenings information about quadrupole coupling constant (eqQ) of the K nucleus in KOH and about the spacing (Esub(Δ) - Esub(Σ)) between Σ and Δ levels in the vibrational spectrum of KOH, RbOH and CsOH has been derived. The measured value of the eqQ of KOH is close to that of KF. The separation between Σ and Δ levels is found to be rather similar for the group of the alkali hydroxides increasing gradually when progressing from LiOH to CsOH. (orig.) [de

Relativistic force field: parametric computations of proton-proton coupling constants in (1)H NMR spectra.

Science.gov (United States)

Kutateladze, Andrei G; Mukhina, Olga A

2014-09-05

Spin-spin coupling constants in (1)H NMR carry a wealth of structural information and offer a powerful tool for deciphering molecular structures. However, accurate ab initio or DFT calculations of spin-spin coupling constants have been very challenging and expensive. Scaling of (easy) Fermi contacts, fc, especially in the context of recent findings by Bally and Rablen (Bally, T.; Rablen, P. R. J. Org. Chem. 2011, 76, 4818), offers a framework for achieving practical evaluation of spin-spin coupling constants. We report a faster and more precise parametrization approach utilizing a new basis set for hydrogen atoms optimized in conjunction with (i) inexpensive B3LYP/6-31G(d) molecular geometries, (ii) inexpensive 4-31G basis set for carbon atoms in fc calculations, and (iii) individual parametrization for different atom types/hybridizations, not unlike a force field in molecular mechanics, but designed for the fc's. With the training set of 608 experimental constants we achieved rmsd <0.19 Hz. The methodology performs very well as we illustrate with a set of complex organic natural products, including strychnine (rmsd 0.19 Hz), morphine (rmsd 0.24 Hz), etc. This precision is achieved with much shorter computational times: accurate spin-spin coupling constants for the two conformers of strychnine were computed in parallel on two 16-core nodes of a Linux cluster within 10 min.

Hyperfine fields for B and N in nickel

Energy Technology Data Exchange (ETDEWEB)

Hamagaki, H; Nakai, K [Tokyo Univ. (Japan). Faculty of Science; Nojiri, Y; Tanihata, I; Sugimoto, K [Osaka Univ., Toyonaka (Japan). Faculty of Science

1976-11-01

Hyperfine fields for non-magnetic impurity atoms of /sup 12/B and /sup 12/N in nickel have been investigated using a nuclear resonance method involving ..beta.. decay. The temperature dependence of the hyperfine fields and nuclear spin lattice relaxation time were also studied for /sup 12/B in Ni. Resonances were observed for recoil nuclei produced in the reactions /sup 11/B(d,p)/sup 12/B or /sup 10/B(/sup 3/He,n)/sup 12/N, implanted in polycrystalline Ni foils. A small correction to the Lorentz field was made because of a Co impurity in the Ni foils used. The sign of the hyperfine field was negative for B in Ni and positive for N. This result is in qualitative agreement with hyperfine field systematics for such impurities. Spin lattice relaxation time was determined from the time spectra of the ..beta..-decay asymmetry. Hyperfine fields measured in the given temperature range deviated significantly from the magnetization curve of Ni. At low temperatures spin lattice was long in comparison with /sup 12/B half life (11 ms), but became shorter around Curie temperature Tsub(c) (631 K), increasing again above this temperature. This is due to slowing down of spin fluctuations at a critical point of the ferromagnetic-paramagnetic phase transition.

Temperature dependence of (+)-catechin pyran ring proton coupling constants as measured by NMR and modeled using GMMX search methodology

Science.gov (United States)

Fred L. Tobiason; Stephen S. Kelley; M. Mark Midland; Richard W. Hemingway

1997-01-01

The pyran ring proton coupling constants for (+)-catechin have been experimentally determined in deuterated methanol over a temperature range of 213 K to 313 K. The experimental coupling constants were simulated to 0.04 Hz on the average at a 90 percent confidence limit using a LAOCOON method. The temperature dependence of the coupling constants was reproduced from the...

Direct 13C-1H coupling constants in the vinyl group of 1-vinylpyrazoles

International Nuclear Information System (INIS)

Afonin, A.V.; Voronov, V.K.; Es'kova, L.A.; Domnina, E.S.; Petrova, E.V.; Zasyad'ko, O.V.

1987-01-01

In a continuation of a study of the rotational isomerism of 1-vinylpyrazoles, they studied the direct 13 C- 1 H coupling constants in the vinyl group of 1-vinylpyrazole, 1-vinyl-4-bromopyrazole, 1-vinyl-3-methylpyrazole, 1-vinyl-5-methylpyrazole, 1-vinyl-3,5-dimethylpyrazole, and 1-vinyl-4-nitro-3,5-dimethylpyrazole. The 13 C- 1 H direct coupling constants in the vinyl group of 1-vinylpyrazoles are stereo-specific and vary with change in the conformer ratio

Self-consistent calculation of the coupling constant in the Gross-Pitaevskii equation

International Nuclear Information System (INIS)

Cherny, A.Yu.; Brand, J.

2004-01-01

A method is proposed for a self-consistent evaluation of the coupling constant in the Gross-Pitaevskii equation without involving a pseudopotential replacement. A renormalization of the coupling constant occurs due to medium effects and the trapping potential, e.g., in quasi-1D or quasi-2D systems. It is shown that a simplified version of the Hartree-Fock-Bogoliubov approximation leads to a variational problem for both the condensate and a two-body wave function describing the behavior of a pair of bosons in the Bose-Einstein condensate. The resulting coupled equations are free of unphysical divergences. Particular cases of this scheme that admit analytical estimations are considered and compared to the literature. In addition to the well-known cases of low-dimensional trapping, crossover regimes can be studied. The values of the kinetic, interaction, external, and release energies in low dimensions are also evaluated and contributions due to short-range correlations are found to be substantial

Detection of Anisotropic Hyperfine Components of Chemically Prepared Carotenoid Radical Cations:1D and 2D ESEEM and Pulsed ENDOR Study

International Nuclear Information System (INIS)

Konovalova, Tatyana A.; Dikanov, Sergei A.; Bowman, Michael K.; Kispert, Lowell D.

2001-01-01

Canthaxanthin and 8'-apo-B-caroten-8'-al radical cations chemically prepared on activated silica-alumina and in CH2CI2 solution containing A1C13 were studied by pulsed EPR and ENDOR spectroscopies. Both the 1D three-pulse ESEEM and the 2D HYSCORE spectra of the carotenoid-A1C13 mixtures exhibited the 27 A1 nuclei peak at 3.75 MHz. This indicates electron-transfer interactions between carotenoids and A1III ions resulting in the formation and stabilization of carotenoid radical cations. Davies ENDOR measurements of the canthaxanthin radical cation on silica-alumina determined the hyperfine couplings of B protons belonging to three different methyl groups with ahI=2.6 MHz, aH2=8.6MHz, and ah3 ca. 13 MHz. The principal components of the proton hyperfine tensors were obtained from HYSCORE spectra in A1C13 solutions and on the solid support. Identification of the protons was made on the basis of isotropic hyperfine couplings determined by RHF-INDO/SP molecular orbital calculations. In frozen A1C13 solution, the C(7, 7')Ha and C(14, 14')-Ha a protons were observed for Canthaxanthin and the C(8 or 14')-Ha, C(15')-Ha were observed for 8'-apo-B-caroten-8'-al. On the silica-alumina support, the C(10, 10')-Ha, C(11, 11')-Ha, and C(15,15')-Ha a protons were measured for Canthaxanthin and the C(12)-Ha and C(15')-Ha were measured for 8' apo-B-caroten-8'-al. Some protons with large isotropic couplings (> 10 MHz) determined from HYSCORE analysis could be assigned to B protons, but the principal components of their hyperfine tensors are much more anisotropic than those reported previously for B protons. We suggest that cis/trans isomerization of carotenoids on silica-alumina results in stabilization of di-cis isomers with large isotropic couplings for some a protons which are comparable to those of B protons

The behaviour of effective coupling constants in 'finite' grand unification theories in curved spacetime

International Nuclear Information System (INIS)

Buchbinder, I.L.; Odintsov, S.D.; Lichtzier, I.M.

1989-01-01

The question of the behaviour of effective coupling constants in one-loop 'finite' grand unification theories in curved spacetime is investigated. It is shown that in strong gravitational fields the effective coupling constant, corresponding to the parameter of non-minimal interaction of scalar and gravitational fields, tends to the conformal value or increases in an exponential fashion. The one-loop effective potential is obtained with accuracy to linear curvature terms. It is shown that, in external supergravity, supersymmetric finite theories admit asymptotic conformal invariance. (Author)

Nuclear spin noise in the central spin model

Science.gov (United States)

Fröhling, Nina; Anders, Frithjof B.; Glazov, Mikhail

2018-05-01

We study theoretically the fluctuations of the nuclear spins in quantum dots employing the central spin model which accounts for the hyperfine interaction of the nuclei with the electron spin. These fluctuations are calculated both with an analytical approach using homogeneous hyperfine couplings (box model) and with a numerical simulation using a distribution of hyperfine coupling constants. The approaches are in good agreement. The box model serves as a benchmark with low computational cost that explains the basic features of the nuclear spin noise well. We also demonstrate that the nuclear spin noise spectra comprise a two-peak structure centered at the nuclear Zeeman frequency in high magnetic fields with the shape of the spectrum controlled by the distribution of the hyperfine constants. This allows for direct access to this distribution function through nuclear spin noise spectroscopy.

Isospin breaking in the pion-nucleon coupling constant and the nucleon-nucleon scattering length

Directory of Open Access Journals (Sweden)

V. A. Babenko

2016-08-01

Full Text Available Charge independence breaking (CIB in the pion-nucleon coupling constant and the nucleon-nucleon scattering length is considered on the basis of the Yukawa meson theory. CIB effect in these quantities is almost entirely explained by the mass difference between the charged and the neutral pions. Therewith charge splitting of the pion-nucleon coupling constant is almost the same as charge splitting of the pion mass. Calculated difference between the proton-proton and the neutron-proton scattering length in this case comprises ∼90% of the experimental value.

Quadrupole coupling constants and isomeric Moessbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds

International Nuclear Information System (INIS)

Poleshchuk, O. K.; Branchadell, V.; Ritter, R. A.; Fateev, A. V.

2008-01-01

We have analyzed by means of Density functional theory calculations the nuclear quadrupole coupling constants of a range of gold, antimony, platinum, niobium and tantalum compounds. The geometrical parameters and halogen nuclear quadrupole coupling constants obtained by these calculations substantially corresponded to the data of microwave and nuclear quadrupole resonance spectroscopy. An analysis of the quality of the calculations that employ pseudo-potentials and all-electron basis sets for the halogen compounds was carried out. The zero order regular approximation (ZORA) method is shown to be a viable alternative for the calculation of halogen coupling constants in molecules. In addition, the ZORA model, in contrast to the pseudo-potential model, leads to realistic values of all metal nuclear quadrupole coupling constants. From Klopman's approach, it follows that the relationship between the electrostatic bonding and covalent depends on the nature of the central atom. The results on Moessbauer chemical shifts are also in a good agreement with the coordination number of the central atom.

Quadrupole coupling constants and isomeric Moessbauer shifts for halogen-containing gold, platinum, niobium, tantalum and antimony compounds

Energy Technology Data Exchange (ETDEWEB)

Poleshchuk, O. K., E-mail: poleshch@tspu.edu.ru [Tomsk State Pedagogical University (Russian Federation); Branchadell, V. [Universitat Autonoma de Barcelona, Departament de Quimica (Spain); Ritter, R. A.; Fateev, A. V. [Tomsk State Pedagogical University (Russian Federation)

2008-01-15

We have analyzed by means of Density functional theory calculations the nuclear quadrupole coupling constants of a range of gold, antimony, platinum, niobium and tantalum compounds. The geometrical parameters and halogen nuclear quadrupole coupling constants obtained by these calculations substantially corresponded to the data of microwave and nuclear quadrupole resonance spectroscopy. An analysis of the quality of the calculations that employ pseudo-potentials and all-electron basis sets for the halogen compounds was carried out. The zero order regular approximation (ZORA) method is shown to be a viable alternative for the calculation of halogen coupling constants in molecules. In addition, the ZORA model, in contrast to the pseudo-potential model, leads to realistic values of all metal nuclear quadrupole coupling constants. From Klopman's approach, it follows that the relationship between the electrostatic bonding and covalent depends on the nature of the central atom. The results on Moessbauer chemical shifts are also in a good agreement with the coordination number of the central atom.

The hyperfine properties of a hydrogenated Fe/V superlattice

Energy Technology Data Exchange (ETDEWEB)

Elzain, M., E-mail: elzain@squ.edu.om; Al-Barwani, M.; Gismelseed, A.; Al-Rawas, A.; Yousif, A.; Widatallah, H.; Bouziane, K.; Al-Omari, I. [Sultan Qaboos University, Department of Physics, College of Science (Oman)

2012-03-15

We study the effect of hydrogen on the electronic, magnetic and hyperfine structures of an iron-vanadium superlattice consisting of three Fe monolayers and nine V monolayers. The contact charge density ({rho}), the contact hyperfine field (B{sub hf}) and the electronic field gradient (EFG) at the Fe sites for different H locations and H fillings are calculated using the first principle full-potential linear-augmented-plane-wave (FP-LAPW) method. It is found that sizeable changes in the hyperfine properties are obtained only when H is in the interface region.

Analysis of Hydrogen Cyanide Hyperfine Spectral Components towards Star Forming Cores

Directory of Open Access Journals (Sweden)

Loughnane R. M.

2011-12-01

Full Text Available Although hydrogen cyanide has become quite a common molecular tracing species for a variety of astrophysical sources, it, however, exhibits dramatic non-LTE behaviour in its hyperfine line structure. Individual hyperfine components can be strongly boosted or suppressed. If these so-called hyperfine line anomalies are present in the HCN rotational spectra towards low or high mass cores, this will affect the interpretation of various physical properties such as the line opacity and excitation temperature in the case of low mass objects and infall velocities in the case of their higher mass counterparts. Anomalous line ratios are present either through the relative strengths of neighboring hyperfine lines or through the varying widths of hyperfine lines belonging to a particular rotational line. This work involves the first observational investigation of these anomalies in two HCN rotational transitions, J=1→0 and J=3→2, towards both low mass starless cores and high mass protostellar objects. The degree of anomaly in these two rotational transitions is considered by computing the ratios of neighboring hyperfine lines in individual spectra. Results indicate some degree of anomaly is present in all cores considered in our survey, the most likely cause being line overlap effects among hyperfine components in higher rotational transitions.

Hyperfine structure of the odd parity level system in the terbium atom

International Nuclear Information System (INIS)

Stefanska, D; Furmann, B

2017-01-01

Within this work new experimental results concerning the hyperfine structure ( hfs ) in the terbium atom are presented, concerning the odd parity levels system, hitherto only scarcely investigated (apart from the ground term). hfs constants A and B for 113 levels were determined for the first time, and for another 16 levels, which already occurred in our earlier works, supplementary results were obtained; additionally, our earlier results for 93 levels were compiled. The hfs of the odd parity levels was investigated using the method of laser induced fluorescence in a hollow cathode discharge. The hfs of 165 spectral lines, where the levels in question were involved as the upper levels, was recorded. Literature values of hfs constants of the even-parity lower levels (including our own earlier results) greatly facilitated the present data evaluation. (paper)

Hyperfine interactions by Moessbauer effect

International Nuclear Information System (INIS)

Constantinescu, S.

1980-01-01

Moessbauer spectroscopy has been used to investigate hyperfine interactions in materials endowed with complex electromagnetic crystallographic structures. Such structures (Me 3 B 7 O 13 X boracite-type systems, for instance), equally interesting from both scientific and applications viewpoint, are drawing a special attention lately on account of their being examined by means of increasingly refined experimental techniques. In view of the wide prospects of using these materials in various practical fields, this thesis counts among the studies aiming to ameliorate the methods of processing and determining the Moessbauer spectra parameters, characterized by complex hyperfine interactions, as well as among the studies of electric, magnetic and crystallographic investigation of the Moessbauer nucleus neighbourhood, in boracite-type structures. (author)

Theory of long-range interactions for Rydberg states attached to hyperfine-split cores

Science.gov (United States)

Robicheaux, F.; Booth, D. W.; Saffman, M.

2018-02-01

The theory is developed for one- and two-atom interactions when the atom has a Rydberg electron attached to a hyperfine-split core state. This situation is relevant for some of the rare-earth and alkaline-earth atoms that have been proposed for experiments on Rydberg-Rydberg interactions. For the rare-earth atoms, the core electrons can have a very substantial total angular momentum J and a nonzero nuclear spin I . In the alkaline-earth atoms there is a single (s ) core electron whose spin can couple to a nonzero nuclear spin for odd isotopes. The resulting hyperfine splitting of the core state can lead to substantial mixing between the Rydberg series attached to different thresholds. Compared to the unperturbed Rydberg series of the alkali-metal atoms, the series perturbations and near degeneracies from the different parity states could lead to qualitatively different behavior for single-atom Rydberg properties (polarizability, Zeeman mixing and splitting, etc.) as well as Rydberg-Rydberg interactions (C5 and C6 matrices).

Mössbauer studies of hyperfine fields in disordered Fe CrAl

Indian Academy of Sciences (India)

magnetic hyperfine field, the average hyperfine field follows the ´T Tcµ3 2 law. The paramagnetic part of the hyperfine field is explained in terms of the clustering of Cr ... These alloys offer excellent systems for studying magnetic interactions. Large volumes of studies have been devoted to Heusler alloys bearing the general ...

Wavelengths, energy levels and hyperfine structure of Mn II and Sc II.

Science.gov (United States)

Nave, Gillian; Pickering, Juliet C.; Townley-Smith, Keeley I. M.; Hala, .

2015-08-01

For many decades, the Atomic Spectroscopy Groups at the National Institute of Standards and Technology (NIST) and Imperial College London (ICL) have measured atomic data of astronomical interest. Our spectrometers include Fourier transform (FT) spectrometers at NIST and ICL covering the region 1350 Å to 5.5 μm and a 10.7-m grating spectrometer at NIST covering wavelengths from 300 - 5000 Å. Sources for these spectra include high-current continuous and pulsed hollow cathode (HCL) lamps, Penning discharges, and sliding spark discharges. Recent work has focused on the measurement and analysis of wavelengths, energy levels, and hyperfine structure (HFS) constants for iron-group elements. The analysis of FT spectra of Cr I, Mn I, and Mn II is being led by ICL and is described in a companion poster [1]. Current work being led by NIST includes the analysis of HFS in Mn II, analysis of Mn II in the vacuum ultraviolet, and a comprehensive analysis of Sc II.Comprehensive HFS constants for Mn II are needed for the interpretation of stellar spectra and incorrect abundances may be obtained when HFS is omitted. Holt et al. [2] have measured HFS constants for 59 levels of Mn II using laser spectroscopy. We used FT spectra of Mn/Ni and Mn/Cu HCLs covering wavelength ranges from 1350 Å to 5.4 μm to confirm 26 of the A constants of Holt et al. and obtain values for roughly 40 additional levels. We aim to obtain HFS constants for the majority of lines showing significant HFS that are observed in chemically-peculiar stars.Spectra of Sc HCLs have been recorded from 1800 - 6700 Å using a vacuum ultraviolet FT spectrometer at NIST. Additional measurements to cover wavelengths above 6700 Å and below 1800 Å are in progress. The spectra are being analyzed by NIST and Alighar Muslim University, India in order to derive improved wavelengths, energy levels, and hyperfine structure parameters.This work was partially supported by NASA, the STFC and PPARC (UK), the Royal Society of the UK

Numerical Simulations of Hyperfine Transitions of Antihydrogen

CERN Document Server

Kolbinger, B.; Diermaier, M.; Lehner, S.; Malbrunot, C.; Massiczek, O.; Sauerzopf, C.; Simon, M.C.; Widmann, E.

2015-02-04

One of the ASACUSA (Atomic Spectroscopy And Collisions Using Slow Antiprotons) collaboration's goals is the measurement of the ground state hyperfine transition frequency in antihydrogen, the antimatter counterpart of one of the best known systems in physics. This high precision experiment yields a sensitive test of the fundamental symmetry of CPT. Numerical simulations of hyperfine transitions of antihydrogen atoms have been performed providing information on the required antihydrogen events and the achievable precision.

Numerical simulations of hyperfine transitions of antihydrogen

Energy Technology Data Exchange (ETDEWEB)

Kolbinger, B., E-mail: bernadette.kolbinger@oeaw.ac.at; Capon, A.; Diermaier, M.; Lehner, S. [Stefan Meyer Institute for Subatomic Physics, Austrian Academy of Sciences (Austria); Malbrunot, C. [CERN (Switzerland); Massiczek, O.; Sauerzopf, C.; Simon, M. C.; Widmann, E. [Stefan Meyer Institute for Subatomic Physics, Austrian Academy of Sciences (Austria)

2015-08-15

One of the ASACUSA (Atomic Spectroscopy And Collisions Using Slow Antiprotons) collaboration’s goals is the measurement of the ground state hyperfine transition frequency in antihydrogen, the antimatter counterpart of one of the best known systems in physics. This high precision experiment yields a sensitive test of the fundamental symmetry of CPT. Numerical simulations of hyperfine transitions of antihydrogen atoms have been performed providing information on the required antihydrogen events and the achievable precision.

Calculation of hyperfine structure constants of small molecules using ...

Indian Academy of Sciences (India)

SUDIP SASMALa, KAUSHIK TALUKDARb, MALAYA K NAYAKc, NAYANA VAVALa and. SOURAV PALb,∗ ... Abstract. The Z-vector method in the relativistic coupled-cluster framework is employed to calculate the parallel and perpendicular .... subscript c means only the connected terms exist in the contraction between HN ...

Hyperfine excitation of OH+ by H

Science.gov (United States)

Lique, François; Bulut, Niyazi; Roncero, Octavio

2016-10-01

The OH+ ions are widespread in the interstellar medium and play an important role in the interstellar chemistry as they act as precursors to the H2O molecule. Accurate determination of their abundance rely on their collisional rate coefficients with atomic hydrogen and electrons. In this paper, we derive OH+-H fine and hyperfine-resolved rate coefficients by extrapolating recent quantum wave packet calculations for the OH+ + H collisions, including inelastic and exchange processes. The extrapolation method used is based on the infinite order sudden approach. State-to-state rate coefficients between the first 22 fine levels and 43 hyperfine levels of OH+ were obtained for temperatures ranging from 10 to 1000 K. Fine structure-resolved rate coefficients present a strong propensity rule in favour of Δj = ΔN transitions. The Δj = ΔF propensity rule is observed for the hyperfine transitions. The new rate coefficients will help significantly in the interpretation of OH+ spectra from photon-dominated region (PDR), and enable the OH+ molecule to become a powerful astrophysical tool for studying the oxygen chemistry.

Measurement of the spin temperature of optically cooled nuclei and GaAs hyperfine constants in GaAs/AlGaAs quantum dots

Science.gov (United States)

Chekhovich, E. A.; Ulhaq, A.; Zallo, E.; Ding, F.; Schmidt, O. G.; Skolnick, M. S.

2017-10-01

Deep cooling of electron and nuclear spins is equivalent to achieving polarization degrees close to 100% and is a key requirement in solid-state quantum information technologies. While polarization of individual nuclear spins in diamond and SiC (ref. ) reaches 99% and beyond, it has been limited to 50-65% for the nuclei in quantum dots. Theoretical models have attributed this limit to formation of coherent `dark' nuclear spin states but experimental verification is lacking, especially due to the poor accuracy of polarization degree measurements. Here we measure the nuclear polarization in GaAs/AlGaAs quantum dots with high accuracy using a new approach enabled by manipulation of the nuclear spin states with radiofrequency pulses. Polarizations up to 80% are observed--the highest reported so far for optical cooling in quantum dots. This value is still not limited by nuclear coherence effects. Instead we find that optically cooled nuclei are well described within a classical spin temperature framework. Our findings unlock a route for further progress towards quantum dot electron spin qubits where deep cooling of the mesoscopic nuclear spin ensemble is used to achieve long qubit coherence. Moreover, GaAs hyperfine material constants are measured here experimentally for the first time.

Spectrally resolved hyperfine interactions between polaron and nuclear spins in organic light emitting diodes: Magneto-electroluminescence studies

Energy Technology Data Exchange (ETDEWEB)

Crooker, S. A.; Kelley, M. R.; Martinez, N. J. D.; Nie, W.; Mohite, A.; Nayyar, I. H.; Tretiak, S.; Smith, D. L. [Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States); Liu, F.; Ruden, P. P. [University of Minnesota, Minneapolis, Minnesota 55455 (United States)

2014-10-13

We use spectrally resolved magneto-electroluminescence (EL) measurements to study the energy dependence of hyperfine interactions between polaron and nuclear spins in organic light-emitting diodes. Using layered devices that generate bright exciplex emission, we show that the increase in EL emission intensity I due to small applied magnetic fields of order 100 mT is markedly larger at the high-energy blue end of the EL spectrum (ΔI/I ∼ 11%) than at the low-energy red end (∼4%). Concurrently, the widths of the magneto-EL curves increase monotonically from blue to red, revealing an increasing hyperfine coupling between polarons and nuclei and directly providing insight into the energy-dependent spatial extent and localization of polarons.

The holomorphicity of the gauge coupling constant in supersymmetric gauge theories

International Nuclear Information System (INIS)

Li, H.

1993-01-01

Holomorphicity is the analytical dependence of the gauge coupling function, f = 1/g 2 + Θ/8π 2 , on the chiral fields in supergravity and supersymmetric gauge theories. The holomorphic property of 1/g 2 in supersymmetric gauge theories is studied by calculating its dependence on the mass matrix. The general representations of the mass matrix allowed by the constraints of gauge invariance is considered, and calculate the one- and two-loop corrections to 1/g 2 for both super QED and super Yang-Mills theories. For the massive mass matrix it is shown that one- and two-loop corrections to the gauge coupling constant are holomorphic. The reason for two-loop holomorphicity is that the second order logarithmic terms cancel out. For the mass matrix with at least one zero mode, it is recognized that there are two distinct cases which we call pseudo massive and intrinsically massless. For the case of pseudo mass matrix, the reducible representation of the gauge group is (i) complex with equal numbers of irreducible representations and their conjugates, (ii) real, or (iii) pseudo-real. Even though there are massless modes, it is found that the dependence of the gauge coupling constant on the mass matrix is holomorphic. This holomorphicity follows because the mass matrix can be perturbed to regularize the infrared divergence. For the case of intrinsically massless mass matrix, a reducible complex representation with unequal numbers of irreducible representations and their conjugates. The author shows that loop corrections to the gauge coupling constant are non-holomorphic. The reason is an infrared momentum cutoff is used which spins holomorphicity. The results show that, for the pseudo massive case, even though there is an infrared divergence, the one- and two-loop corrections are still holomorphic. Hence, it is concluded that non-holomorphicity is caused by the unbalanced numbers of families and antifamilies in the complex representation

How Precisely can we Determine the $\\piNN$ Coupling Constant from the Isovector GMO Sum Rule?

CERN Document Server

Loiseau, B; Thomas, A W

1999-01-01

The isovector GMO sum rule for zero energy forward pion-nucleon scattering iscritically studied to obtain the charged pion-nucleon coupling constant usingthe precise negatively charged pion-proton and pion-deuteron scattering lengthsdeduced recently from pionic atom experiments. This direct determination leadsto a pseudoscalar charged pion-nucleon coupling constant of 14.23 +- 0.09(statistic) +- 0.17 (systematic). We obtain also accurate values for thepion-nucleon scattering lengths.

Hyperfine structure of electronic levels and the first measurement of the nuclear magnetic moment of {sup 63}Ni

Energy Technology Data Exchange (ETDEWEB)

D' yachkov, A.B.; Firsov, V.A.; Gorkunov, A.A.; Labozin, A.V.; Mironov, S.M.; Saperstein, E.E.; Tolokonnikov, S.V.; Tsvetkov, G.O.; Panchenko, V.Y. [National Research Center ' ' Kurchatov Institute' ' , Moscow (Russian Federation)

2017-01-15

Laser resonant photoionization spectroscopy was used to study the hyperfine structure of the optical 3d{sup 8}4s{sup 2} {sup 3}F{sub 4} → 3d{sup 8}4s4p {sup 3}G{sup o}{sub 3} and 3d{sup 9}4s {sup 3}D{sub 3} → 3d{sup 8}4s4p {sup 3}G{sup o}{sub 3} transitions of {sup 63}Ni and {sup 61}Ni isotopes. Experimental spectra allowed us to derive hyperfine interaction constants and determine the magnetic dipole moment of the nuclear ground state of {sup 63}Ni for the first time: μ = +0.496(5)μ{sub N}. The value obtained agrees well with the prediction of the self-consistent theory of finite Fermi systems. (orig.)

Contribution to the theoretical study of metallic systems containing rare earths: hyperfine interactions and exchange coupling

International Nuclear Information System (INIS)

Troper, A.

1978-01-01

A theoretical study involving rare earth impurities, which were embedded in transition metals (s-p or noble), from the point of view of the hyperfine interactions is presented. A model was created to describe a d-resonance (Anderson-Moriya) acting on a s-p conduction band which was strongly perturbed by a slater-koster potential, used to describe the rare earths which were diluted in matrices of transition elements. (author)

The rotational spectrum of IBr

International Nuclear Information System (INIS)

Tiemann, E.; Moeller, T.

1975-01-01

The microwave spectrum of IBr was measured in the low rotational transition J = 3 → 2 in order to resolve the hyperfine structure as completely as possible. Rotational constants and quadrupole coupling constants were derived for both nuclei. The observation of the rotational spectrum in different vibrational states yields the vibrational dependence of the rotational constants as well as of the hyperfine parameters. The Dunham potential coefficients α 0 , α 1 , α 2 , α 3 are given. (orig.) [de

Global synchronization in arrays of delayed neural networks with constant and delayed coupling

International Nuclear Information System (INIS)

Cao Jinde; Li Ping; Wang Weiwei

2006-01-01

This Letter investigates the global exponential synchronization in arrays of coupled identical delayed neural networks (DNNs) with constant and delayed coupling. By referring to Lyapunov functional method and Kronecker product technique, some sufficient conditions are derived for global synchronization of such systems. These new synchronization criteria offer some adjustable matrix parameters, which is of important significance in the design and applications of such coupled DNNs, and the results improve and extend the earlier works. Finally, an example is given to illustrate the theoretical results

Measurement of the ground-state hyperfine splitting of antihydrogen

CERN Document Server

Juhász, B; Federmann, S

2011-01-01

The ASACUSA collaboration at the Antiproton Decelerator of CERN is planning to measure the ground-state hyperfine splitting of antihydrogen using an atomic beam line, consisting of a cusp trap as a source of partially polarized antihydrogen atoms, a radiofrequency spin-flip cavity, a superconducting sextupole magnet as spin analyser, and an antihydrogen detector. This will be a measurement of the antiproton magnetic moment, and also a test of the CPT invariance. Monte Carlo simulations predict that the antihydrogen ground-state hyperfine splitting can be determined with a relative precision of ~10−7. The first preliminary measurements of the hyperfine transitions will start in 2011.

Coupling constant metamorphosis and Nth-order symmetries in classical and quantum mechanics

Energy Technology Data Exchange (ETDEWEB)

Kalnins, E G [Department of Mathematics and Statistics, University of Waikato, Hamilton (New Zealand); Miller, W Jr; Post, S [School of Mathematics, University of Minnesota, Minneapolis, MN 55455 (United States)], E-mail: miller@ima.umn.edu

2010-01-22

We review the fundamentals of coupling constant metamorphosis (CCM) and the Staeckel transform, and apply them to map integrable and superintegrable systems of all orders into other such systems on different manifolds. In general, CCM does not preserve the order of constants of the motion or even take polynomials in the momenta to polynomials in the momenta. We study specializations of these actions which preserve polynomials and also the structure of the symmetry algebras in both the classical and quantum cases. We give several examples of non-constant curvature third- and fourth-order superintegrable systems in two space dimensions obtained via CCM, with some details on the structure of the symmetry algebras preserved by the transform action.

Coupling constant metamorphosis and Nth-order symmetries in classical and quantum mechanics

International Nuclear Information System (INIS)

Kalnins, E G; Miller, W Jr; Post, S

2010-01-01

We review the fundamentals of coupling constant metamorphosis (CCM) and the Staeckel transform, and apply them to map integrable and superintegrable systems of all orders into other such systems on different manifolds. In general, CCM does not preserve the order of constants of the motion or even take polynomials in the momenta to polynomials in the momenta. We study specializations of these actions which preserve polynomials and also the structure of the symmetry algebras in both the classical and quantum cases. We give several examples of non-constant curvature third- and fourth-order superintegrable systems in two space dimensions obtained via CCM, with some details on the structure of the symmetry algebras preserved by the transform action.

Observation of H-bond mediated 3hJH2H3coupling constants across Watson-Crick AU base pairs in RNA

International Nuclear Information System (INIS)

Luy, Burkhard; Richter, Uwe; DeJong, Eric S.; Sorensen, Ole W.; Marino, John P.

2002-01-01

3h J H2H3 trans-hydrogen bond scalar coupling constants have been observed for the first time in Watson-Crick AU base pairs in uniformly 15 N-labeled RNA oligonucleotides using a new 2h J NN -HNN-E. COSY experiment. The experiment utilizes adenosine H2 (AH2) for original polarization and detection, while employing 2h J NN couplings for coherence transfer across the hydrogen bonds (H-bonds). The H3 protons of uracil bases are unperturbed throughout the experiment so that these protons appear as passive spins in E. COSY patterns. 3h J H2H3 coupling constants can therefore be accurately measured in the acquisition dimension from the displacement of the E. COSY multiplet components, which are separated by the relatively large 1 J H3N3 coupling constants in the indirect dimension of the two-dimensional experiment. The 3h J H2H3 scalar coupling constants determined for AU base pairs in the two RNA hairpins examined here have been found to be positive and range in magnitude up to 1.8 Hz. Using a molecular fragment representation of an AU base pair, density functional theory/finite field perturbation theory (DFT/FPT) methods have been applied to attempt to predict the relative contributions of H-bond length and angular geometry to the magnitude of 3h J H2H3 coupling constants. Although the DFT/FPT calculations did not reproduce the full range of magnitude observed experimentally for the 3h J H2H3 coupling constants, the calculations do predict the correct sign and general trends in variation in size of these coupling constants. The calculations suggest that the magnitude of the coupling constants depends largely on H-bond length, but can also vary with differences in base pair geometry. The dependency of the 3h J H2H3 coupling constant on H-bond strength and geometry makes it a new probe for defining base pairs in NMR studies of nucleic acids

Towards quantifying the role of exact exchange in the prediction hydrogen bond spin-spin coupling constants involving fluorine

Energy Technology Data Exchange (ETDEWEB)

San Fabián, J.; Omar, S.; García de la Vega, J. M., E-mail: garcia.delavega@uam.es [Departamento de Química Física Aplicada, Facultad de Ciencias, Universidad Autónoma de Madrid, Madrid (Spain)

2016-08-28

The effect of a fraction of Hartree-Fock exchange on the calculated spin-spin coupling constants involving fluorine through a hydrogen bond is analyzed in detail. Coupling constants calculated using wavefunction methods are revisited in order to get high-level calculations using the same basis set. Accurate MCSCF results are obtained using an additive approach. These constants and their contributions are used as a reference for density functional calculations. Within the density functional theory, the Hartree-Fock exchange functional is split in short- and long-range using a modified version of the Coulomb-attenuating method with the SLYP functional as well as with the original B3LYP. Results support the difficulties for calculating hydrogen bond coupling constants using density functional methods when fluorine nuclei are involved. Coupling constants are very sensitive to the Hartree-Fock exchange and it seems that, contrary to other properties, it is important to include this exchange for short-range interactions. Best functionals are tested in two different groups of complexes: those related with anionic clusters of type [F(HF){sub n}]{sup −} and those formed by difluoroacetylene and either one or two hydrogen fluoride molecules.

SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

Energy Technology Data Exchange (ETDEWEB)

Faber, Rasmus; Sauer, Stephan P. A. [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

2015-12-31

We present zero-point vibrational corrections to the indirect nuclear spin-spin coupling constants in ethyne, ethene, cyclopropene and allene. The calculations have been carried out both at the level of the second order polarization propagator approximation (SOPPA) employing a new implementation in the DALTON program, at the density functional theory level with the B3LYP functional employing also the Dalton program and at the level of coupled cluster singles and doubles (CCSD) theory employing the implementation in the CFOUR program. Specialized coupling constant basis sets, aug-cc-pVTZ-J, have been employed in the calculations. We find that on average the SOPPA results for both the equilibrium geometry values and the zero-point vibrational corrections are in better agreement with the CCSD results than the corresponding B3LYP results. Furthermore we observed that the vibrational corrections are in the order of 5 Hz for the one-bond carbon-hydrogen couplings and about 1 Hz or smaller for the other couplings apart from the one-bond carbon-carbon coupling (11 Hz) and the two-bond carbon-hydrogen coupling (4 Hz) in ethyne. However, not for all couplings lead the inclusion of zero-point vibrational corrections to better agreement with experiment.

The effective baryon-lepton coupling constant and the parity of leptons

International Nuclear Information System (INIS)

Lucha, W.; Stremnitzer, H.

1981-01-01

Using a phenomenological ansatz for the Lagrangian of baryon- and lepton-number violating interactions the effective baryon-lepton coupling constant is calculated within the framework of a relativistic quark model. Apart from a calculation of B-number violating cross-sections and decays this ansatz allows for a definition of the parity of leptons relative to baryons. (Auth.)

The nucleon axial isoscalar coupling constant and the Bjorken sum rule

International Nuclear Information System (INIS)

Belyaev, V.M.; Ioffe, B.L.; Kogan, Ya.I.

1984-01-01

The nucleon coupling constant with the axial isoscalar current entering the Bjorken sum rule for the deep inelastic scattering of polarized electrons on a polarized target is calculated in nonperturbative QCD. The result, gsub(A)sup(s) approximately 0.5, is about a factor of two smaller as compared to that of the SU(6) symmetric quark model

Study of hyperfine anomaly in 9,11Be isotopes

International Nuclear Information System (INIS)

Parfenova, Y.; Leclercq-Willain

2005-01-01

The study of the hyperfine anomaly of neutron rich nuclei, in particular, neutron halo nuclei, can give a very specific and unique way to measure their neutron distribution and confirm a halo structure. The hyperfine structure anomaly in Be + ions is calculated with a realistic electronic wave function, obtained as a solution of the Dirac equation. In the calculations, the Coulomb potential modified by the charge distribution of the clustered nucleus and three electrons in the configuration 1s 2 2s is used. The nuclear wave function for the 11 Be nucleus is obtained in the core + nucleon model, and that for the 9 Be nucleus is calculated in the three-cluster (α+α + n) model. The aim of this study is to test whether the hyperfine structure anomaly reflects an extended spatial structure of '1 1 Be. The results of the calculations are listed. ε BW is the hyperfine anomaly in the Bohr-Weisskopf effect and δ is the charge structure correction, μ is the calculated magnetic moment, and μ exp is the experimental value of the magnetic moment, Q and Q exp are the calculated and measured values of the quadrupole moment. The results for 9 Be are obtained with two different three-body wave functions (WF1 and WF2) showing the sensitivity of the calculations to the input parameters. The value of ε BW is sensitive to the weights of the states in the nuclear ground state wave function. The total hyperfine anomaly value εε BW +δ in 11 Be differs from that in 9 Be by 25%. This gives a measure of the accuracy of the hyperfine anomaly measurements needed to study the neutron distribution in the Be isotopes. (authors)

Hyperfine interaction in the Autler-Townes effect: The formation of bright, dark, and chameleon states

Science.gov (United States)

Kirova, T.; Cinins, A.; Efimov, D. K.; Bruvelis, M.; Miculis, K.; Bezuglov, N. N.; Auzinsh, M.; Ryabtsev, I. I.; Ekers, A.

2017-10-01

This paper is devoted to clarifying the implications of hyperfine (HF) interaction in the formation of adiabatic (i.e., "laser-dressed") states and their expression in the Autler-Townes (AT) spectra. We first use the Morris-Shore model [J. R. Morris and B. W. Shore, Phys. Rev. A 27, 906 (1983), 10.1103/PhysRevA.27.906] to illustrate how bright and dark states are formed in a simple reference system where closely spaced energy levels are coupled to a single state with a strong laser field with the respective Rabi frequency ΩS. We then expand the simulations to realistic hyperfine level systems in Na atoms for a more general case when non-negligible HF interaction can be treated as a perturbation in the total system Hamiltonian. A numerical analysis of the adiabatic states that are formed by coupling of the 3 p3 /2 and 4 d5 /2 states by the strong laser field and probed by a weak laser field on the 3 s1 /2-3 p3 /2 transition yielded two important conclusions. Firstly, the perturbation introduced by the HF interaction leads to the observation of what we term "chameleon" states—states that change their appearance in the AT spectrum, behaving as bright states at small to moderate ΩS, and fading from the spectrum similarly to dark states when ΩS is much larger than the HF splitting of the 3 p3 /2 state. Secondly, excitation by the probe field from two different HF levels of the ground state allows one to address orthogonal sets of adiabatic states; this enables, with appropriate choice of ΩS and the involved quantum states, a selective excitation of otherwise unresolved hyperfine levels in excited electronic states.

Hyperfine-mediated static polarizabilities of monovalent atoms and ions

International Nuclear Information System (INIS)

Dzuba, V. A.; Flambaum, V. V.; Beloy, K.; Derevianko, A.

2010-01-01

We apply relativistic many-body methods to compute static differential polarizabilities for transitions inside the ground-state hyperfine manifolds of monovalent atoms and ions. Knowledge of this transition polarizability is required in a number of high-precision experiments, such as microwave atomic clocks and searches for CP-violating permanent electric dipole moments. While the traditional polarizability arises in the second order of interaction with the externally applied electric field, the differential polarizability involves an additional contribution from the hyperfine interaction of atomic electrons with nuclear moments. We derive formulas for the scalar and tensor polarizabilities including contributions from magnetic dipole and electric quadrupole hyperfine interactions. Numerical results are presented for Al, Rb, Cs, Yb + , Hg + , and Fr.

Hyperfine structure of S-states of muonic deuterium

Directory of Open Access Journals (Sweden)

Alexey P. Martynenko

2015-09-01

Full Text Available On the basis of quasipotential method in quantum electrodynamics we calculate corrections of order $\\alpha^5$ and $\\alpha^6$ to hyperfine structure of $S$-wave energy levels of muonic deuterium. Relativistic corrections, effects of vacuum polarization in first, second and third orders of perturbation theory, nuclear structure and recoil corrections are taken into account. The obtained numerical values of hyperfine splitting $\\Delta E^{hfs}(1S=50.2814$ meV ($1S$ state and $\\Delta E^{hfs}(2S=6.2804$ meV ($2S$ state represent reliable estimate for a comparison with forthcoming experimental data of CREMA collaboration. The hyperfine structure interval $\\Delta_{12}=8\\Delta E^{hfs}(2S- \\Delta E^{hfs}(1S=-0.0379$ meV can be used for precision check of quantum electrodynamics prediction for muonic deuterium.

Chiral symmetry effect on the pion-nucleon coupling constant; O efeito da simetria quiral na constante de acoplamento pion-nucleon

Energy Technology Data Exchange (ETDEWEB)

Araujo, Vanilse da Silva

1997-12-31

In this work we study the effects of chiral symmetry in the pion-nucleon coupling constant in the context of the linear {sigma}- model. First, we introduce the linear {sigma}-model and we discuss the phenomenological hypothesis of CVC and PCAC. Next, we calculate the coupling constant g+{pi}{sub NN}(q{sup 2}) and the nucleon pionic mean square radius considering the contribution of all the diagrams up to one-loop in the framework of the linear {sigma}-model for different values of the mass of the sigma meson and we compare them with the phenomenological form factors. Finally we make an extension of the linear {sigma}-model that consists of taking into account the mass differences of ions and nucleons into the Lagrangian of the model, to study the change dependence of g{sub {pi}nn} (q{sup 2}) and of the mean square radius. (author) 21 refs., 17 figs., 4 tabs.

S³ HMBC hetero: Spin-State-Selective HMBC for accurate measurement of long-range heteronuclear coupling constants

DEFF Research Database (Denmark)

Hoeck, Casper; Gotfredsen, Charlotte Held; Sørensen, Ole W.

2017-01-01

A novel method, Spin-State-Selective (S3) HMBC hetero, for accurate measurement of heteronuclear coupling constants is introduced. The method extends the S3 HMBC technique for measurement of homonuclear coupling constants by appending a pulse sequence element that interchanges the polarization...

Precision determination of the strong coupling constant within a global PDF analysis

NARCIS (Netherlands)

Ball, Richard D.; Carrazza, Stefano; Debbio, Luigi Del; Forte, Stefano; Kassabov, Zahari; Rojo, Juan; Slade, Emma; Ubiali, Maria

2018-01-01

We present a determination of the strong coupling constant $\\alpha_s(m_Z)$ based on the NNPDF3.1 determination of parton distributions, which for the first time includes constraints from jet production, top-quark pair differential distributions, and the $Z$ $p_T$ distributions using exact NNLO

Ultrahigh-resolution (1+1) photoionization spectroscopy of Kr I: Hyperfine structures, isotope shifts, and lifetimes for the n = 5,6,7 4p5ns Rydberg levels

International Nuclear Information System (INIS)

Trickl, T.; Vrakking, M.J.J.; Cromwell, E.; Lee, Y.T.; Kung, A.H.

1989-01-01

High-resolution measurements of the hyperfine structures and isotope shifts are reported for Kr I n = 5,6,7 4p 5 ns Rydberg levels, obtained using an extreme-ultraviolet laser with a bandwidth of 210 MHz in a resonant two-photon-ionization scheme. Use of known I 2 frequencies yields an improved absolute calibration of the Kr energy levels by more than one order of magnitude. The nuclear quadrupole hyperfine structure indicates that the 4p 5 6s and 4p 5 7s states are described by a pure jj-coupling scheme, whereas the 4p 5 5s states depart from a pure jj-coupling scheme by 0.37(6)%. The magnetic hyperfine structure shows that the 4p 5 ns states are mixed with 4p 5 n'd states. The isotope shifts can be described as pure mass effects within the precision of our experiment. For the 4p 5 6s and 4p 5 7s states, lifetimes were determined that differ markedly from theoretical literature values

Comparison between measurements of hyperfine structures of Pr II - lines investigated by collinear laser ion beam spectroscopy (CLIBS) ans saturation spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Akhtar, Nadeem; Anjum, Naveed [Inst. f. Experimentalphysik, Techn. Univ. Graz, Petersgasse 16, A-8010 Graz (Austria); Optics Labs, Nilore, Islamabad (Pakistan); Huehnermann, Harry [Inst. f. Experimentalphysik, Techn. Univ. Graz, Petersgasse 16, A-8010 Graz (Austria); Fachbereich Physik, Univ. Marburg/Lahn (Germany); Windholz, Laurentius [Inst. f. Experimentalphysik, Techn. Univ. Graz, Petersgasse 16, A-8010 Graz (Austria)

2011-07-01

Investigation of narrow hyperfine structures needs a reduction of the Doppler broadening of the investigated lines. Here we have used two methods: collinear laser spectroscopy (CLIBS) and laser saturation spectroscopy. In the first method, the Doppler width is reduced by accelerating Pr ions to a high velocity and excitation with a collinear laser beam, while in the second method ions with velocity group zero are selected by nonlinear saturation. In this work the hyperfine spectra of several Pr II lines were investigated using CLIBS. A line width of ca. 60 MHz was measured. The same lines were then investigated in a hollow cathode discharge lamp using intermodulated laser-induced fluorescence spectroscopy. Using this technique a spectral line width of about 200 MHz was achieved. In both methods, the excitation source is a ring dye laser operated with R6G. Using a fit program, magnetic dipole interaction constants A and the electric-quadrupole interaction constants B of the involved levels have been determined in both cases. We discuss advantages and disadvantages of both methods.

Muonium hyperfine parameters in Si1-x Ge x alloys

International Nuclear Information System (INIS)

King, Philip; Lichti, Roger; Cottrell, Stephen; Yonenaga, Ichiro

2006-01-01

We present studies of muonium behaviour in bulk, Czochralski-grown Si 1- x Ge x alloy material, focusing in particular on the hyperfine parameter of the tetrahedral muonium species. In contrast to the bond-centred species, the hyperfine parameter of the tetrahedral-site muonium centre (Mu T ) appears to vary non-linearly with alloy composition. The temperature dependence of the Mu T hyperfine parameter observed in low-Ge alloy material is compared with that seen in pure Si, and previous models of the Mu T behaviour in Si are discussed in the light of results from Si 1- x Ge x alloys

Possible generalization of the method of evolution in the coupling constant

International Nuclear Information System (INIS)

Belyaev, V.B.; Solovtsova, O.P.

1980-01-01

Two possible generalizations of the method of evolution in the coupling constant are presented. The consideration is given for a concrete case of the three-body problem: the πd scattering at the zeroth pion energy. It is shown that two approaches provide the value for the πd scattering length which is close to that obtained by solving the Faddeev equations [ru

Fe dimers: a theoretical study of the hyperfine interactions

International Nuclear Information System (INIS)

Guenzburger, D.J.R.; Saitovitch, E.M.B.

1981-01-01

The electronic structures of diatomic molecules Fe 2 and FeM, where M = Mn, Co, Ni and Cu, are investigated by molecular orbitals calculations using a discrete variational method and a local approximation for the exchange interaction. The one-electron wave functions obtained are used to calculate electric field gradients, electronic charge and spin densities at the Fe nucleus and spin-dipolar hyperfine fields, which are related to measured hyperfine parameters reported from experiments in solid inert-gas matrices. Molecular orbitals energy schemes and population analysis are presented. These and other aspects of the electronic structure of the FeM molecules are used in a qualitative interpretation of the hyperfine data; in some cases, are given suggestions for the ground-state configuration. (Author) [pt

First example of a high-level correlated calculation of the indirect spin-spin coupling constants involving tellurium

DEFF Research Database (Denmark)

Rusakov, Yury Yu; Krivdin, Leonid B.; Østerstrøm, Freja From

2013-01-01

This paper documents a very first example of a high-level correlated calculation of spin-spin coupling constants involving tellurium taking into account relativistic effects, vibrational corrections and solvent effects for the medium sized organotellurium molecules. The 125Te-1H spin-spin coupling...... constants of tellurophene and divinyl telluride were calculated at the SOPPA and DFT levels in a good agreement with experiment. A new full-electron basis set av3z-J for tellurium derived from the "relativistic" Dyall's basis set, dyall.av3z, and specifically optimized for the correlated calculations...... of spin-spin coupling constants involving tellurium, was developed. The SOPPA methods show much better performance as compared to 15 those of DFT, if relativistic effects calculated within the ZORA scheme are taken into account. Vibrational and solvent corrections are next to negligible, while...

The renormalised π NN coupling constant and the P-wave phase shifts in the cloudy bag model

International Nuclear Information System (INIS)

Pearce, B.C.; Afnan, I.R.

1986-02-01

Most applications of the cloudy bag model to π N scattering involve unitarising the bare diagrams arising from the Lagrangian by iterating in a Lippmann-Schwinger equation. However analyses of the renormalisation of the coupling constant proceed by iterating the Lagrangian to a given order in the bare coupling constant. These two different approaches means there is an inconsistency between the calculation of phase shifts and the calculation of renormalisation. A remedy to this problem is presented that has the added advantage of improving the fit to the phase shifts in the P 11 channel. This is achieved by using physical values of the coupling constant in the crossed diagram which reduces the repulsion rather than adds attraction. This approach can be justified by examining equations for the π π N system that incorporate three-body unitarity

Directionally independent energy gap formation due to the hyperfine interaction

NARCIS (Netherlands)

Miyashita, Seiji; Raedt, Hans De; Michielsen, Kristel

We study energy gap formation at the level-crossing point due to the hyperfine interaction. In contrast to the energy gap induced by the Dzyaloshinskii-Moriya interaction, the gap induced by the hyperfine interaction is independent of the direction of the magnetic field. We also study the dynamics

Hyperfine structure in the Gd II spectrum and the nuclear electric quadrupole moment of 157Gd

International Nuclear Information System (INIS)

Clieves, H.P.; Steudel, A.

1979-01-01

The hyperfine structure of 157 Gd was investigated in 20 Gd II lines by means of a photoelectric recording Fabry-Perot interferometer with digital data processing. The hyperfine splitting factors, A and B, were obtained by computer fits to the observed line structures. Using a multiconfigurational set of wave functions in intermediate coupling derived by Wyart, mono-electronic parameters were deduced by a parametric treatment. The nuclear electric quadrupole moment of 157 Gd was evaluated from the quadrupole interaction of the 5d electron in 4f 7 5d6s, the 5d electron in 4f 7 5d6p, and the 6p electron in 4f 7 5d6p. The three values obtained for the quadrupole moment agree very well. The final result, corrected for Sternheimer shielding, is Q( 157 Gd) = 1.34(7) x 10 -24 cm 2 . (orig.) [de

S3 HMBC: Spin-State-Selective HMBC for accurate measurement of homonuclear coupling constants. Application to strychnine yielding thirteen hitherto unreported JHH

DEFF Research Database (Denmark)

Kjaerulff, Louise; Benie, Andrew J.; Hoeck, Casper

2016-01-01

A novel method, Spin-State-Selective (S3) HMBC, for accurate measurement of homonuclear coupling constants is introduced. As characteristic for S3 techniques, S3 HMBC yields independent subspectra corresponding to particular passive spin states and thus allows determination of coupling constants ...... are demonstrated by an application to strychnine where thirteen JHH coupling constants not previously reported could be measured....

Restrictions on the masses and coupling constants of excited intermediate bosons

International Nuclear Information System (INIS)

Kaidalov, A.B.; Nogteva, A.V.

1985-01-01

The properties of the intermediate bosons are discussed in the framework of composite models which include not only the W +- and Z 0 bosons but also their excited states with large masses. The influence of the excited states on the values of the masses of the W +- and Z 0 bosons is investigated. Restrictions on the masses and coupling constants of the excited intermediate bosons are obtained

Meson-baryon coupling constants from a chiral-invariant SU(3) Lagrangian and application to NN scattering

International Nuclear Information System (INIS)

Stoks, V.G.J.

1997-01-01

We present a chiral-invariant meson-baryon Lagrangian which describes the interactions of the baryon octet with the lowest-mass meson nonets. The nonlinear realization of the chiral symmetry generates pair-meson interaction vertices. The corresponding pair-meson coupling constants can all be expressed in terms of the meson-nucleon-nucleon pseudovector, scalar, and vector coupling constants, and their corresponding F/(F+D) ratios, and for which empirical estimates are given. We show that it is possible to construct an NN potential of reasonable quality satisfying these theoretical and empirical constraints. (orig.)

The /sup 13/C-/sup 13/C spin-spin coupling constants and the conformational equilibrium of alkyl phenyl sulfides

Energy Technology Data Exchange (ETDEWEB)

Krividin, L.B.; Kalabin, G.A.

1985-08-10

The authors measure the direct geminal and vicinal spinspin coupling constants between the C-13 nuclei of the phenyl group in the series of alkyl phenyl sulfides C/sub 6/H/sub 5/SR. It was shown that the variation in most of the discussed constants is determined by the ratio of the planar and orthogonal conformers. Linear relationships were obtained between the C-13-C-13 constants and the fractions of the planar conformer. The C-13-C-13 spin-spin coupling constants in the planar and orthogonal conformers of the compounds were calculated by means of empirical relationships.

Perturbation theory at large order in more than one coupling constant for a field theory with fermions

International Nuclear Information System (INIS)

Chowdhury, A.R.; Roy, T.

1980-01-01

We have considered the problem of evaluating the large order estimates of perturbation theory in a quantum field theory with more than one coupling constant. The theory considered is four dimensional and possesses instanton-type solutions. It contains a Boson field coupled with a Fermion through the usual g anti psi psi phi type interaction, along with the self-interaction of the Boson lambda phi 4 . Our analysis reveals a phenomenon not observed in a theory with only one coupling constant. One gets different kinds of behavior in different regions of the (lambda, g) plane. The results are quite encouraging for the application to more realistic field theories

Experimental Constraints on Polarizability Corrections to Hydrogen Hyperfine Structure

International Nuclear Information System (INIS)

Nazaryan, Vahagn; Carlson, Carl E.; Griffioen, Keith A.

2006-01-01

We present a state-of-the-art evaluation of the polarizability corrections--the inelastic nucleon corrections--to the hydrogen ground-state hyperfine splitting using analytic fits to the most recent data. We find a value Δ pol =1.3±0.3 ppm. This is 1-2 ppm smaller than the value of Δ pol deduced using hyperfine splitting data and elastic nucleon corrections obtained from modern form factor fits

Self-energy correction to the hyperfine splitting for excited states

International Nuclear Information System (INIS)

Wundt, B. J.; Jentschura, U. D.

2011-01-01

The self-energy corrections to the hyperfine splitting is evaluated for higher excited states in hydrogenlike ions using an expansion in the binding parameter Zα, where Z is the nuclear-charge number and α is the fine-structure constant. We present analytic results for D, F, and G states, and for a number of highly excited Rydberg states, with principal quantum numbers in the range 13≤n≤16, and orbital angular momenta l=n-2 and l=n-1. A closed-form analytic expression is derived for the contribution of high-energy photons, valid for any state with l≥2 and arbitrary n, l, and total angular momentum j. The low-energy contributions are written in the form of generalized Bethe logarithms and evaluated for selected states.

Determining hyperfine transitions with electromagnetically induced transparency and optical pumping

International Nuclear Information System (INIS)

Lee Yi-Chi; Tsai Chin-Chun; Huang Chen-Han; Chui Hsiang-Chen; Chang Yung-Yung

2011-01-01

A system is designed to observe the phenomena of electromagnetically induced transparency and optical pumping in cesium D 1 and D 2 lines at room temperature. When a pump laser is frequency-locked on the top of a hyperfine transition and the frequency of the probe laser scans over another hyperfine transition, a spectrum of V-type electromagnetically induced transparency or an optical pumping can be observed depending on whether the two lasers share a common ground state. Therefore, these results can be used to identify the unknown hyperfine transitions of the D 1 line transitions. For educational purposes, this system is helpful for understanding the electromagnetically induced transparency and the optical pumping

Should the coupling constants be mass dependent in the relativistic mean field models

International Nuclear Information System (INIS)

Levai, P.; Lukacs, B.

1986-05-01

Mass dependent coupling constants are proposed for baryonic resonances in the relativistic mean field model, according to the mass splitting of the SU-6 multiplet. With this choice the negative effective masses are avoided and the system remains nucleon dominated with moderate antidelta abundance. (author)

Zero-Point Corrections for Isotropic Coupling Constants for Cyclohexadienyl Radical, C6H7 and C6H6Mu: Beyond the Bond Length Change Approximation

Directory of Open Access Journals (Sweden)

Bruce S. Hudson

2013-04-01

Full Text Available Zero-point vibrational level averaging for electron spin resonance (ESR and muon spin resonance (µSR hyperfine coupling constants (HFCCs are computed for H and Mu isotopomers of the cyclohexadienyl radical. A local mode approximation previously developed for computation of the effect of replacement of H by D on 13C-NMR chemical shifts is used. DFT methods are used to compute the change in energy and HFCCs when the geometry is changed from the equilibrium values for the stretch and both bend degrees of freedom. This variation is then averaged over the probability distribution for each degree of freedom. The method is tested using data for the methylene group of C6H7, cyclohexadienyl radical and its Mu analog. Good agreement is found for the difference between the HFCCs for Mu and H of CHMu and that for H of CHMu and CH2 of the parent radical methylene group. All three of these HFCCs are the same in the absence of the zero point average, a one-parameter fit of the static HFCC, a(0, can be computed. That value, 45.2 Gauss, is compared to the results of several fixed geometry electronic structure computations. The HFCC values for the ortho, meta and para H atoms are then discussed.

13C, 1H spin-spin coupling constants. Pt. 4

International Nuclear Information System (INIS)

Aydin, R.; Guenther, H.

1979-01-01

One-bond, geminal, and vicinal 13 C, 1 H coupling constants have been determined for adamantane using α-and β-[D]adamantane and the relation sup(n)J( 13 C, 1 H)=6,5144sup(n)J( 13 C, 2 H) for the conversion of the measured sup(n)J( 13 C, 2 H) values. It is shown that the magnitude of 3 Jsub(trans) is strongly influenced by the substitution pattern. Relative H,D isotope effects for 13 C chemical shifts are given. (orig.) [de

Renormalization group analysis of the temperature dependent coupling constant in massless theory

International Nuclear Information System (INIS)

Yamada, Hirofumi.

1987-06-01

A general analysis of finite temperature renormalization group equations for massless theories is presented. It is found that in a direction where momenta and temperature are scaled up with their ratio fixed the coupling constant behaves in the same manner as in zero temperature and that asymptotic freedom at short distances is also maintained at finite temperature. (author)

Nuclear matter studies with density-dependent meson-nucleon coupling constants

International Nuclear Information System (INIS)

Banerjee, M.K.; Tjon, J.A.; Banerjee, M.K.; Tjon, J.A.

1997-01-01

Due to the internal structure of the nucleon, we should expect, in general, that the effective meson nucleon parameters may change in nuclear medium. We study such changes by using a chiral confining model of the nucleon. We use density-dependent masses for all mesons except the pion. Within a Dirac-Brueckner analysis, based on the relativistic covariant structure of the NN amplitude, we show that the effect of such a density dependence in the NN interaction on the saturation properties of nuclear matter, while not large, is quite significant. Due to the density dependence of the g σNN , as predicted by the chiral confining model, we find, in particular, a looping behavior of the binding energy at saturation as a function of the saturation density. A simple model is described, which exhibits looping and which is shown to be mainly caused by the presence of a peak in the density dependence of the medium modified σN coupling constant at low density. The effect of density dependence of the coupling constants and the meson masses tends to improve the results for E/A and density of nuclear matter at saturation. From the present study we see that the relationship between binding energy and saturation density may not be as universal as found in nonrelativistic studies and that more model dependence is exhibited once medium modifications of the basic nuclear interactions are considered. copyright 1997 The American Physical Society

Manipulating ultracold polar molecules with microwave radiation: The influence of hyperfine structure

International Nuclear Information System (INIS)

Aldegunde, J.; Hutson, Jeremy M.; Ran Hong

2009-01-01

We calculate the microwave spectra of ultracold 40 K 87 Rb alkali-metal dimers, including hyperfine interactions and in the presence of electric and magnetic fields. We show that microwave transitions may be used to transfer molecules between different hyperfine states, but only because of the presence of nuclear quadrupole interactions. Hyperfine splittings may also complicate the use of ultracold molecules for quantum computing. The spectrum of molecules oriented in electric fields may be simplified dramatically by applying a simultaneous magnetic field.

Strong coupling constant from Adler function in lattice QCD

Science.gov (United States)

Hudspith, Renwick J.; Lewis, Randy; Maltman, Kim; Shintani, Eigo

2016-09-01

We compute the QCD coupling constant, αs, from the Adler function with vector hadronic vacuum polarization (HVP) function. On the lattice, Adler function can be measured by the differential of HVP at two different momentum scales. HVP is measured from the conserved-local vector current correlator using nf = 2 + 1 flavor Domain Wall lattice data with three different lattice cutoffs, up to a-1 ≈ 3.14 GeV. To avoid the lattice artifact due to O(4) symmetry breaking, we set the cylinder cut on the lattice momentum with reflection projection onto vector current correlator, and it then provides smooth function of momentum scale for extracted HVP. We present a global fit of the lattice data at a justified momentum scale with three lattice cutoffs using continuum perturbation theory at 𝒪(αs4) to obtain the coupling in the continuum limit at arbitrary scale. We take the running to Z boson mass through the appropriate thresholds, and obtain αs(5)(MZ) = 0.1191(24)(37) where the first is statistical error and the second is systematic one.

Investigation of Pr I lines by a simulation of their hyperfine patterns: discovery of new levels

International Nuclear Information System (INIS)

Uddin, Zaheer; Siddiqui, Imran; Shamim, Khan; Windholz, L; Zafar, Roohi; Sikander, Rubeka

2012-01-01

Hyperfine structure (hf) patterns of unclassified spectral lines of the praseodymium atom, as appear in a high-resolution Fourier transform spectrum, have been simulated. In this way, the J-values and hf constants of the levels involved in the transitions were determined. Assuming that so far only one unknown level is participating in the transition, these constants were used to identify the known level. The second unknown level was found by performing subtraction or addition of the wave number of the transition to the wave number of the known level. The existence of the new level was then checked by explaining other unclassified lines with respect to the wave number and the hf pattern. In this way, 19 new levels of the praseodymium atom were discovered and are presented in this paper. In some cases, the accuracy of the hf constants was improved by laser-induced fluorescence spectroscopy.

Hyperfine-resolved transition frequency list of fundamental vibration bands of H35Cl and H37Cl

Science.gov (United States)

Iwakuni, Kana; Sera, Hideyuki; Abe, Masashi; Sasada, Hiroyuki

2014-12-01

Sub-Doppler resolution spectroscopy of the fundamental vibration bands of H35Cl and H37Cl has been carried out from 87.1 to 89.9 THz. We have determined the absolute transition frequencies of the hyperfine-resolved R(0) to R(4) transitions with a typical uncertainty of 10 kHz. We have also yielded six molecular constants for each isotopomer in the vibrational excited state, which reproduce the determined frequencies with a standard deviation of about 10 kHz.

$K^{\\pm}n$ forward dispersion relations and the KN$\\Sigma$ coupling constant

CERN Document Server

Baillon, Paul; Ferro-Luzzi, M; Jenni, Peter; Perreau, J M; Tripp, R D; Ypsilantis, Thomas; Déclais, Y; Séguinot, Jacques

1976-01-01

Recent measurements of the K/sup -/n forward scattering amplitude at 1.2, 1.4, 2.6 GeV/c are used in a once-subtracted dispersion relation to determine the value of the KN Sigma coupling constant. The result is g/sub Sigma //sup 2/=1.9+or-3.2, in agreement with the prediction of the SU(3) theory.

Design of a spin-flip cavity for the measurement of the antihydrogen hyperfine structure

CERN Document Server

Kroyer, T

2008-01-01

In the framework of the ASACUSA collaboration at the CERN Antiproton Decelerator an experiment for precisely testing the CPT invariance of the hydrogen hyperfine structure is currently being designed. An integral part of the set-up is the 1.42 GHz spin-flipping cavity, which should have a good field homogeneity over the large aperture of the antihydrogen beam. After the evaluation of various approaches a structure based on a resonant stripline is proposed as a concrete cavity design. For this structure the field homogeneity, undesired modes, coupling and power issues are discussed in detail.

Man-made materials : An exciting area for hyperfine-interaction investigation

International Nuclear Information System (INIS)

Freeman, A.; Wu, R.

1996-01-01

Man-made low-dimensional magnetic systems including surfaces, interfaces and multilayers, have attracted a great amount of attention in the past decade because, as expected, the lowered symmetry and coordination number offer a variety of opportunities for inducing new and exotic phenomena and so hold out the promise of new device applications. Local spin density functional (LSDF) ab initio electronic-structure calculations employing the full-potential -linearized augmented-plane-wave (FLAPW) method have played a key role in the development of this exciting field by not only providing a clearer understanding of the experimental observations but also predicting new systems with desired properties. One of the striking successes of theory in the last decade has been the calculation of hyperfine fields at surfaces and interfaces. Concurrently, several groups have followed the pioneering work of Korecki and Gradmann and have measured hyperfine fields at surfaces and interfaces. In this paper, it is reviewed new features of hyperfine-interaction investigations in man-made materials which are essential because the hyperfine field is not proportional to the magnetization and so interpretations of experiment are totally dependent on theory

The hyperfine properties of iron-gallium alloys

Energy Technology Data Exchange (ETDEWEB)

Elzain, M., E-mail: elzain@squ.edu.om; Gismelseed, A.; Al-Rawas, A.; Yousif, A.; Widatallah, H.; Al-Azri, Maya [Sultan Qaboos University, Department of Physics (Oman); Al-Barwani, M. [NYU Abu Dhabi (United Arab Emirates)

2016-12-15

The hyperfine properties at Fe site in iron-gallium alloy are calculated using the full-potential linear-augmented-plane-waves method. We have calculated the Fermi contact field (B{sub hf}) and isomer shift (δ) at the Fe site versus the number of neighbouring Ga atoms. We found that B{sub hf} decrease whereas δ increases with increasing number of neighbouring G atom. In addition we have calculated the hyperfine properties of FeGa system with DO{sub 3} structure, where various distributions of 4 the Ga atoms in the conventional unit cell are considered (including the regular DO{sub 3} structure). We found that the DO{sub 3} structure has the lowest energy as compared to the other configurations. The two distinct A and D sites of the ordered DO{sub 3} conventional unit cell have two distinct values for B{sub hf} and δ. On changing the atomic arrangement of the Ga atoms within the conventional unit cell, the configuration of the A site is maintained whereas that of the D site becomes imperfect. The contact magnetic hyperfine fields of the D-like sites in the imperfect structures are lower than that of the DO{sub 3}D site.

Ground-state hyperfine splitting for Rb, Cs, Fr, Ba+, and Ra+

Science.gov (United States)

Ginges, J. S. M.; Volotka, A. V.; Fritzsche, S.

2017-12-01

We have systematically investigated the ground-state hyperfine structure for alkali-metal atoms 87Rb,133Cs, and 211Fr and alkali-metal-like ions +135Ba and +225Ra, which are of particular interest for parity violation studies. The quantum electrodynamic one-loop radiative corrections have been rigorously evaluated within an extended Furry picture employing core-Hartree and Kohn-Sham atomic potentials. Moreover, the effect of the nuclear magnetization distribution on the hyperfine structure intervals has been studied in detail and its uncertainty has been estimated. Finally, the theoretical description of the hyperfine structure has been completed with full many-body calculations performed in the all-orders correlation potential method.

The hyperfine Paschen–Back Faraday effect

International Nuclear Information System (INIS)

Zentile, Mark A; Andrews, Rebecca; Weller, Lee; Adams, Charles S; Hughes, Ifan G; Knappe, Svenja

2014-01-01

We investigate experimentally and theoretically the Faraday effect in an atomic medium in the hyperfine Paschen–Back regime, where the Zeeman interaction is larger than the hyperfine splitting. We use a small permanent magnet and a micro-fabricated vapour cell, giving magnetic fields of the order of a tesla. We show that for low absorption and small rotation angles, the refractive index is well approximated by the Faraday rotation signal, giving a simple way to measure the atomic refractive index. Fitting to the atomic spectra, we achieve magnetic field sensitivity at the 10 −4 level. Finally we note that the Faraday signal shows zero crossings which can be used as temperature insensitive error signals for laser frequency stabilization at large detuning. The theoretical sensitivity for 87 Rb is found to be ∼40 kHz °C −1 . (paper)

Very low temperature studies of hyperfine effects in metals. [Progress report

International Nuclear Information System (INIS)

Weyhmann, W.

1985-01-01

We are using nuclei through the hyperfine coupling as a probe of magnetic interactions in metallic systems, emphasizing the role conduction electrons play. Three types of systems are of interest to us: nuclear singlet ground state intermetallic compounds, very dilute magnetic impurities in non-magnetic metals, and itinerant ferromagnets. The nuclear ordering in singlet ground state alloys of praseodymium appears to be analogous to electronic ordering in rare earth metals, with the RKKY interaction moderating the indirect exchange in both cases. We are measuring the static and dynamic properties of these materials both to study rare earth ordering, since only first order effects should play a role in the nuclear case, and to develop the sub-millikelvin refrigeration capabilities of these materials. Using this cooling power, we propose studying the local moment of Mn based Kondo systems at millikelvin and sub-millikelvin temperatures. Kondo systems with a Kondo temperature below 0.1 K have the advantage that magnetic saturation can be achieved with available magnets. We propose studying both the local magnetization as measured with nuclear orientation and the macroscopic magnetization measured with SQUID magnetometry. We also propose searching for electron polarization effects in itinerant ferromagnets using nuclear orientation. Induced hyperfine fields of less than 1 k0e can be detected at 1 mK

Anomalies in resonant absorption line profiles of atoms with large hyperfine splitting

International Nuclear Information System (INIS)

Parkhomenko, A.I.; Pod'yachev, S.P.; Privalov, T.I.; Shalagin, A.M.

1997-01-01

We examine a monochromatic absorption line in the velocity-nonselective excitation of atoms when the components of the hyperfine stricture of the electronic ground states are optically pumped. We show that the absorption lines possess unusual substructures for some values of the hyperfine splitting of the ground state (which exceed the Doppler absorption linewidth severalfold). These substructures in the absorption spectrum are most apparent if the hyperfine structure of the excited electronic state is taken into account. We calculate the absorption spectra of monochromatic light near the D 1 and D 2 lines of atomic rubidium 85,87 Rb. With real hyperfine splitting taken into account, the D 1 and D 2 lines are modeled by 4- and 6-level diagrams, respectively. Finally, we show that atomic rubidium vapor can be successfully used to observe the spectral features experimentally

Performance of wave function and density functional methods for water hydrogen bond spin-spin coupling constants.

Science.gov (United States)

García de la Vega, J M; Omar, S; San Fabián, J

2017-04-01

Spin-spin coupling constants in water monomer and dimer have been calculated using several wave function and density functional-based methods. CCSD, MCSCF, and SOPPA wave functions methods yield similar results, specially when an additive approach is used with the MCSCF. Several functionals have been used to analyze their performance with the Jacob's ladder and a set of functionals with different HF exchange were tested. Functionals with large HF exchange appropriately predict 1 J O H , 2 J H H and 2h J O O couplings, while 1h J O H is better calculated with functionals that include a reduced fraction of HF exchange. Accurate functionals for 1 J O H and 2 J H H have been tested in a tetramer water model. The hydrogen bond effects on these intramolecular couplings are additive when they are calculated by SOPPA(CCSD) wave function and DFT methods. Graphical Abstract Evaluation of the additive effect of the hydrogen bond on spin-spin coupling constants of water using WF and DFT methods.

Hyperfine structure of the S levels of the muonic helium ion

International Nuclear Information System (INIS)

Martynenko, A. P.

2008-01-01

Corrections of the α 5 and α 6 orders to the energy spectrum of the hyperfine splitting of the 1S and 2S levels of the muonic helium ion are calculated with the inclusion of the electron vacuum polarization effects, nuclear-structure corrections, and recoil effects. The values ΔE hfs (1S) = -1334.56 meV and ΔE hfs (2S) = -166.62 meV obtained for hyperfine splitting values can be considered as reliable estimates for comparison with experimental data. The hyperfine structure interval Δ 12 = 8ΔE hfs (2S) - ΔE hfs (1S) = 1.64 meV can be used to verify QED predictions

Towards the measurement of the ground-state hyperfine splitting of antihydrogen

Energy Technology Data Exchange (ETDEWEB)

Juhasz, Bertalan, E-mail: bertalan.juhasz@oeaw.ac.at [Austrian Academy of Sciences, Stefan Meyer Institute for Subatomic Physics (Austria)

2012-12-15

The ASACUSA collaboration at the Antiproton Decelerator of CERN is planning to measure the ground-state hyperfine splitting of antihydrogen using an atomic beam line, which will consist of a superconducting cusp trap as a source of partially polarized antihydrogen atoms, a radiofrequency spin-flip cavity, a superconducting sextupole magnet as spin analyser, and an antihydrogen detector. This will be a measurement of the antiproton magnetic moment, and also a test of the CPT invariance. Monte Carlo simulations predict that the antihydrogen ground-state hyperfine splitting can be determined with a relative precision of better than {approx} 10{sup - 6}. The first preliminary measurements of the hyperfine transitions will start in 2011.

The πHe3H3 coupling constant estimation using the Chew-Low equation

International Nuclear Information System (INIS)

Mach, R.; Nichitiu, F.

1976-01-01

A semi-phenomenological analysis of the π +- He 3 elastic scattering at 98, 120, 135 and 156 Mev is presented. An information of the πHe 3 H 3 coupling constant using the Chew-Low plot for the P 33 partial wave is obtained. (author)

The πHe3H3 coupling constant estimation using the Chew-Low equation

International Nuclear Information System (INIS)

Mach, R.; Nichitiu, F.

1975-01-01

In this paper it is presented an estimation of the πHe 3 H 3 coupling constant using the Chew-Low equation and a semi-phenomenological analysis of the π -+ He 3 elastic differential cross sections at 98, 120, 135 and 156 MeV

On the usefulness of the 't Hooft and Adler transformations of the running coupling constant in perturbative quantum chromodynamics

International Nuclear Information System (INIS)

Hagiwara, K.

1982-01-01

It is argued that the 't Hooft transformation of the running coupling constant, in which the two-loop renormalization group (RG) function becomes exact, will be useful in the framework of perturbative quantum chromodynamics at least to three-loop order. On the other hand, the coupling constant expansion obtained by the Adler transformation, in which the RG equation takes its one-loop form, may suffer from large corrections in a finite order. (orig.)

Schwarzian derivative treatment of the quantum second-order supersymmetry anomaly, and coupling-constant metamorphosis

Energy Technology Data Exchange (ETDEWEB)

Plyushchay, Mikhail S., E-mail: mikhail.plyushchay@usach.cl

2017-02-15

A canonical quantization scheme applied to a classical supersymmetric system with quadratic in momentum supercharges gives rise to a quantum anomaly problem described by a specific term to be quadratic in Planck constant. We reveal a close relationship between the anomaly and the Schwarzian derivative, and specify a quantization prescription which generates the anomaly-free supersymmetric quantum system with second order supercharges. We also discuss the phenomenon of a coupling-constant metamorphosis that associates quantum systems with the first-order supersymmetry to the systems with the second-order supercharges.

Schwarzian derivative treatment of the quantum second-order supersymmetry anomaly, and coupling-constant metamorphosis

International Nuclear Information System (INIS)

Plyushchay, Mikhail S.

2017-01-01

A canonical quantization scheme applied to a classical supersymmetric system with quadratic in momentum supercharges gives rise to a quantum anomaly problem described by a specific term to be quadratic in Planck constant. We reveal a close relationship between the anomaly and the Schwarzian derivative, and specify a quantization prescription which generates the anomaly-free supersymmetric quantum system with second order supercharges. We also discuss the phenomenon of a coupling-constant metamorphosis that associates quantum systems with the first-order supersymmetry to the systems with the second-order supercharges.

Hyperfine interactions in iron substituted high-Tc superconducting oxides

International Nuclear Information System (INIS)

Ellis, D.E.; Saitovitch, E.B.; Lam, D.J.

1991-01-01

The hyperfine interactions in Fe substituted copper oxide ternary and quaternary compounds with perovskite-related structures are studied, using the Local Density theory in an embedded cluster approach. The self-consistent electronic structure is examined for Cu and Fe sites in a number of plausible local geometries representative of La 2 Cu O 4 , YBa 2 Cu 3 O 7-δ and related materials. Moessbauer isomer shifts, electric fields gradients, magnetic moments, and contact hyperfine fields are presented for comparison with experiment and discussed in light of lattice structure data. (author)

Non-perturbative computation of the strong coupling constant on the lattice

International Nuclear Information System (INIS)

Sommer, Rainer; Humboldt-Universitaet, Berlin; Wolff, Ulli

2015-01-01

We review the long term project of the ALPHA collaboration to compute in QCD the running coupling constant and quark masses at high energy scales in terms of low energy hadronic quantities. The adapted techniques required to numerically carry out the required multiscale non-perturbative calculation with our special emphasis on the control of systematic errors are summarized. The complete results in the two dynamical flavor approximation are reviewed and an outlook is given on the ongoing three flavor extension of the programme with improved target precision.

Perturbation theory and coupling constant analyticity in two-dimensional field theories

International Nuclear Information System (INIS)

Simon, B.

1973-01-01

Conjectural material and results over a year old are presented in the discussion of perturbation theory and coupling constant analyticity in two-dimensional field theories. General properties of perturbation series are discussed rather than questions of field theory. The question is interesting for two reasons: First, one would like to understand why perturbation theory is such a good guide (to show that perturbation theory determines the theory in some way). Secondly, one hopes to prove that some or all of the theories are nontrivial. (U.S.)

Hyperfine structure of the X 2Σ+ ground state of Ca 35Cl and Ca 37Cl by molecular-beam, laser-rf double resonance

International Nuclear Information System (INIS)

Childs, W.J.; Cok, D.R.; Goodman, L.S.

1982-01-01

The hyperfine structure of the X 2 Σ + state of Ca 35 Cl and Ca 37 Cl, unresolved in previous studies, has been investigated in detail by the molecular-beam, laser-rf, double-resonance technique. Results for the spin-rotation interaction and the dipole and quadrupole hfs constants are given in the form of Dunham coefficients so that the N'' and v'' dependence of each constant can be explicitly exhibited. The results, after dividing out the purely nuclear effects, fall between the corresponding values for CaF and CaBr, as expected

Hyperfine interactions measured by nuclear orientation technique

International Nuclear Information System (INIS)

Brenier, R.

1982-01-01

This report concerns the use of hyperfine interaction to magnetism measurements and to the determination of the nuclear structure of Terbium isotopes by the low temperature nuclear orientation technique. In the first part we show that the rhodium atom does not support any localized moment in the chromium matrix. The hyperfine magnetic field at the rhodium nuclear site follows the Overhauser distribution, and the external applied magnetic field supports a negative Knight shift of 16%. In the second part we consider the structure of neutron deficient Terbium isotopes. We introduce a coherent way of evaluation and elaborate a new nuclear thermometer. The magnetic moments allows to strike on the studied states configuration. The analysis of our results shows a decrease of the nuclear deformation for the lighter isotopes [fr

Muonium-containing vinyl radicals

International Nuclear Information System (INIS)

Rhodes, C.J.; Symons, M.C.R.; Roduner, E.; Heming, M.

1987-01-01

Exposure of trimethylsilylacetylene and bis(trimethylsilyl)acetylene to positive muons gave radicals whose muon-electron hyperfine coupling constants establish that the corresponding vinyl radicals were formed. (author)

Calculation of spin-densities within the context of density functional theory. The crucial role of the correlation functional

NARCIS (Netherlands)

Filatov, M; Cremer, D

2005-01-01

It is demonstrated that the LYP correlation functional is not suited to be used for the calculation of electron spin resonance hyperfine structure (HFS) constants, nuclear magnetic resonance spin-spin coupling constants, magnetic, shieldings and other properties that require a balanced account of

Cryogenic tunable microwave cavity at 13GHz for hyperfine spectroscopy of antiprotonic helium

International Nuclear Information System (INIS)

Sakaguchi, J.; Gilg, H.; Hayano, R.S.; Ishikawa, T.; Suzuki, K.; Widmann, E.; Yamaguchi, H.; Caspers, F.; Eades, J.; Hori, M.; Barna, D.; Horvath, D.; Juhasz, B.; Torii, H.A.; Yamazaki, T.

2004-01-01

For the precise measurement of the hyperfine structure of antiprotonic helium, microwave radiation of 12.9GHz frequency is needed, tunable over +/-100MHz. A cylindrical microwave cavity is used whose front and rear faces are meshed to allow the antiprotons and laser beams to enter. The cavity is embedded in a cryogenic helium gas target. Frequency tuning of ∼300MHz with Q values of 2700-3000 was achieved using over-coupling and an external triple stub tuner. We also present Monte-Carlo simulations of the stopping distribution of antiprotons in the low-density helium gas using the GEANT4 package with modified energy loss routines

First principles density functional calculation of magnetic moment and hyperfine fields of dilute transition metal impurities in Gd host

International Nuclear Information System (INIS)

Mohanta, S.K.; Mishra, S.N.; Srivastava, S.K.

2014-01-01

We present first principles calculations of electronic structure and magnetic properties of dilute transition metal (3d, 4d and 5d) impurities in a Gd host. The calculations have been performed within the density functional theory using the full potential linearized augmented plane wave technique and the GGA+U method. The spin and orbital contributions to the magnetic moment and the hyperfine fields have been computed. We find large magnetic moments for 3d (Ti–Co), 4d (Nb–Ru) and 5d (Ta–Os) impurities with magnitudes significantly different from the values estimated from earlier mean field calculation [J. Magn. Magn. Mater. 320 (2008) e446–e449]. The exchange interaction between the impurity and host Gd moments is found to be positive for early 3d elements (Sc–V) while in all other cases an anti-ferromagnetic coupling is observed. The trends for the magnetic moment and hyperfine field of d-impurities in Gd show qualitative difference with respect to their behavior in Fe, Co and Ni. The calculated total hyperfine field, in most cases, shows excellent agreement with the experimental results. A detailed analysis of the Fermi contact hyperfine field has been made, revealing striking differences for impurities having less or more than half filled d-shell. The impurity induced perturbations in host moments and the change in the global magnetization of the unit cell have also been computed. The variation within each of the d-series is found to correlate with the d–d hybridization strength between the impurity and host atoms. - Highlights: • Detailed study of transition metal impurities in ferromagnetic Gd has been carried out. • The trends in impurity magnetic moment are qualitatively different from Fe, Co and Ni. • The variation within each of the d-series is found to correlate with the d–d hybridization strength between the impurity and host atoms. • Experimental trend in a hyperfine field has been reproduced successfully

Hyperfine interactions in dilute Se doped Fe{sub x}Sb{sub 1−x} bulk alloy

Energy Technology Data Exchange (ETDEWEB)

Sarkar, Mitesh, E-mail: miteshsarkar-msu@yahoo.com; Agrawal, Naveen [The M. S. University of Baroda, Department of Physics (India); Chawda, Mukesh [Polytechnic, The M. S. University of Baroda, Department of Applied Physics (India)

2016-12-15

Hyperfine Interaction technique like Moessbauer spectroscopy is a very sensitive tool to study the local probe interactions in Iron doped alloys and compounds. We report here the Moessbauer study of the effect of Fe concentration variations in dilute magnetic semiconducting Se{sub 0.004}Fe{sub x}Sb{sub 1−x} alloys for x = 0.002, 0.004 and 0.008. The materials were characterized using X-ray diffraction technique (XRD), Fourier Transform Infra-red spectroscopy (FTIR), Neutron depolarization and Moessbauer spectroscopy. The FTIR result shows the semiconducting behavior of the alloys with band gap of 0.18 eV. From Moessbauer spectroscopy two magnetic sites (A and B) were observed. The value of hyperfine magnetic fields (HMF) of ∼ 308 kOe (site A) and 270 kOe (site B) was constant with increase in Fe concentration. A nonmagnetic interaction was also observed with quadrupole splitting (QS) of 1.26 mm/sec (site C) for x = 0.004 and x = 0.008. The Neutron depolarization studies indicate that the clusters of Fe or Fe based compounds having net magnetic moments with a size greater than 100 Å is absent.

Theoretical study of Moessbauer hyperfine parameters of Fe bound to ammonia

International Nuclear Information System (INIS)

Terra, J.; Guenzburger, D.

1995-01-01

The first-principles Discrete Variational method was employed to study the species formed by the interaction of an Fe atom and ammonia. Total energy calculations were performed for several configurations. The hyperfine parameters isomer shift, quadrupole splitting and magnetic hyperfine were calculated for the ground state found, and compared to reported experimental values obtained by Moessbauer spectroscopy in frozen ammonia. (author). 14 refs, 1 tab

Paramagnetic hyperfine interactions of iron in solid ammonia from Moessbauer spectroscopy

International Nuclear Information System (INIS)

Litterst, F.J.; Saitovitch, E.M.B.; Terra, J.

1988-01-01

Moessbauer studies on highly dilute 57 Fe in solid ammonia are reported. The hyperfine parameters of the paramagnetic reaction product FeNH 3 point to a nearly atomic configuration of iron [Ar]3d 7 4s. The electronic spin relaxation slows down rapidly under application of an external magnetic field. The field dependence of the magnetic hyperfine patterns indicates a strong axial magnetic anisotropy. (author) [pt

Hyperfine Fields on Actinide Impurities in Ferromagnetic Fe and Ni Hosts

International Nuclear Information System (INIS)

Oliveira, A.L. de; Oliveira, N.A. de; Troper, A.

2003-01-01

We discuss the local magnetic moments and magnetic hyperfine fields on actinide impurities diluted in Fe and Ni hosts. One adopts a Anderson- Moriya model in which a localized 5f level is hybridized with a spin polarized and charge perturbed d-conduction band. Our self-consistent numerical calculations for the hyperfine fields on the impurity sites are in good agreement with the available experimental data. (author)

Hyperfine Interaction Studies on Y, Zr, Nb, Mo, Rh, In and Xe in Co

International Nuclear Information System (INIS)

Seewald, G.; Zech, E.; Ratai, H.; Schmid, R.; Stadler, R.; Schramm, O.; Koenig, C.; Hinfurtner, B.; Hagn, E.; Deicher, M.; Eder, R.; Forkel-Wirth, D.

2004-01-01

Nuclear magnetic resonance on oriented nuclei and modulated adiabatic fast passage on oriented nuclei measurements were performed on several 4d and 5sp impurities in polycrystalline Co(fcc) foils and Co(hcp) single crystals. The hyperfine fields of Y and Zr in Co(fcc), the hyperfine fields of Y, Zr, Nb, Mo, Rh, In and Xe in Co(hcp), the electric field gradients of Zr, Nb and In in Co(hcp), and the nuclear spin-lattice relaxations of Zr, Nb, Rh and In in Co(hcp) were determined. The dependence of the hyperfine fields and electric field gradients in Co(hcp) on the angle between the magnetization and the c axis was investigated in most cases. The magnetic-field dependence of the spin-lattice relaxation was studied for Nb, Rh and In in Co(hcp), applying the magnetic field perpendicular to the c axis. The known hyperfine interaction parameters of the4d and 5sp impurities in Co(fcc) and Co(hcp) are summarized. The new results provide a more detailed picture of the hyperfine interaction in Co.

The hyperfine spectrum of hydrogen dimers

International Nuclear Information System (INIS)

Verberne, J.F.C.

1979-01-01

The authors' aim was to obtain the level scheme for the hydrogen dimers and to investigate the angle dependent interactions by analyzing the zero magnetic field hyperfine spectrum of the ortho-ortho and ortho-para species. The results were tested by several recent semi-empirical and ab initio potentials. (Auth.)

Hyperfine Structure Measurements of Antiprotonic $^3$He using Microwave Spectroscopy

CERN Document Server

Friedreich, Susanne

The goal of this project was to measure the hyperfine structure of $\\overline{\\text{p}}^3$He$^+$ using the technique of laser-microwave-laser spectroscopy. Antiprotonic helium ($\\overline{\\text{p}}$He$^+$) is a neutral exotic atom, consisting of a helium nucleus, an electron and an antiproton. The interactions of the angular momenta of its constituents cause a hyperfine splitting ({HFS}) within the energy states of this new atom. The 3\\% of formed antiprotonic helium atoms which remain in a metastable, radiative decay-dominated state have a lifetime of about 1-3~$\\mu$s. This time window is used to do spectroscopic studies. The hyperfine structure of $\\overline{\\text{p}}^4$He$^+$ was already extensively investigated before. From these measurements the spin magnetic moment of the antiproton can be determined. A comparison of the result to the proton magnetic moment provides a test of {CPT} invariance. Due to its higher complexity the new exotic three-body system of $\\overline{\\text{p}}^3$He$^+$ is a cross-check...

SOPPA and CCSD vibrational corrections to NMR indirect spin-spin coupling constants of small hydrocarbons

DEFF Research Database (Denmark)

Faber, Rasmus; Sauer, Stephan P. A.

2015-01-01

We present zero-point vibrational corrections to the indirect nuclear spin-spin coupling constants in ethyne, ethene, cyclopropene and allene. The calculations have been carried out both at the level of the second order polarization propagator approximation (SOPPA) employing a new implementation ...

The hyperfine fields at 181Ta in HfFe2

International Nuclear Information System (INIS)

Cekic, B.; Ivanovic, N.; Manasijevic, M.; Koicki, S.; Koteski, V.; Cavor, J.; Radisavljevic, I.; Milosevic, Z.; Novakovic, N.

2001-01-01

The hyperfine fields (HFF) in the polycrystalline HfFe 2 binary compound consisting the two various phases MgCu 2 and MgZn 2 , were measured at 181 Ta probe ion sites by gamma-gamma time differential perturbed angular correlations (TDPAC) technique in a wide temperature range. The origin of the hyperfine magnetic field is discussed taking in account the coordination of the 181 Ta probe ion, its core polarization and the polarization of conduction electrons around the 181 Ta site in both phases. (author)

ENDOR/ESR of Mn atoms and MnH molecules in solid argon

Science.gov (United States)

van Zee, R. J.; Garland, D. A.; Weltner, W., Jr.

1986-09-01

Mn atoms and MnH molecules, the latter formed by reaction between metal and hydrogen atoms, were trapped in solid argon and their ESR/ENDOR spectra measured at 4 K. At each pumping magnetic field two ENDOR lines were observed for 55Mn(I=5/2) atoms, corresponding to hyperfine transitions within the MS =±1/2 levels. Values of the hyperfine interaction constant and nuclear moment of 55Mn were derived from the six sets of data. For MnH, three sets of signals were detected: a proton ``matrix ENDOR'' line, transitions in the MS =0,±1 levels involving MI (55Mn)=1/2, 3/2, 5/2 levels, and proton transitions corresponding to νH and νH±aH. Analysis yielded the hyperfine constant aH =6.8(1) MHz and the nuclear quadrupole coupling constant Q'(55Mn)=-11.81(2) MHz. The latter compared favorably with a theoretical value derived earlier by Bagus and Schaefer. A higher term in the spin Hamiltonian appeared to be necessary to fit the proton hyperfine data.

Contact hyperfine field of the 4p and 4f series elements (rare-earths)

International Nuclear Information System (INIS)

Doi, I.

1973-01-01

The Coulomb correlation effect in the description of the contact hyperfine magnetic structure was analysed. The hyperfine magnetic structure was calculated from the spin polarized Hartree-Fock formalism, using the free electron gas approximation to the exchange-correlation energy of the 4p series atoms and some atoms and ions of the 4f series. No one of the analysed approximations to the exchange-correlation energy describes satisfactorily the contact hyperfine magnetic structure of the 4p and 4f series elements, which were studied [pt

Hyperfine relaxation of an optically pumped cesium vapor

International Nuclear Information System (INIS)

Tornos, J.; Amare, J.C.

1986-01-01

The relaxation of hyperfine orientation indirectly induced by optical pumping with a σ-polarized D 1 -light in a cesium vapor in the presence of Ar is experimentally studied. The detection technique ensures the absence of quadrupole relaxation contributions in the relaxation signals. The results from the dependences of the hyperfine relaxation rate on the temperature and argon pressure are: diffusion coefficient of Cs in Ar, D 0 = 0.101 +- 0.010 cm 2 s -1 at 0 0 C and 760 Torr; relaxation cross section by Cs-Ar collisions, σ/sub c/ = (104 +- 5) x 10 -23 cm 2 ; relaxation cross section by Cs-Cs (spin exchange) collisions, σ/sub e//sub x/ = (1.63 +- 0.13) x 10 -14 cm 2

Precision Measurements of Atomic Lifetimes and Hyperfine Energies in Alkali Like Systems

International Nuclear Information System (INIS)

Tanner, Carol E.

2005-01-01

Financial support of this research project has lead to advances in the study of atomic structure through precision measurements of atomic lifetimes, energy splittings, and transitions energies. The interpretation of data from many areas of physics and chemistry requires an accurate understanding of atomic structure. For example, scientists in the fields of astrophysics, geophysics, and plasma fusion depend on transition strengths to determine the relative abundances of elements. Assessing the operation of discharges and atomic resonance line filters also depends on accurate knowledge of transition strengths. Often relative transition strengths are measured precisely, but accurate atomic lifetimes are needed to obtain absolute values. Precision measurements of atomic lifetimes and energy splittings also provide fundamentally important atomic structure information. Lifetimes of allowed transitions depend most strongly on the electronic wave function far from the nucleus. Alternatively, hyperfine splittings give important information about the electronic wave function in the vicinity of the nucleus as well as the structure of the nucleus. Our main focus throughout this project has been the structure of atomic cesium because of its connection to the study of atomic parity nonconservation (PNC). The interpretation of atomic PNC experiments in terms of weak interaction coupling constants requires accurate knowledge of the electronic wave function near the nucleus as well as far from the nucleus. It is possible to address some of these needs theoretically with sophisticated many-electron atomic structure calculations. However, this program has been able to address these needs experimentally with a precision that surpasses current theoretical accuracy. Our measurements also play the important role of providing a means for testing the accuracy of many-electron calculations and guiding further theoretical development, Atomic systems such as cesium, with a single electron

Precision Measurements of Atomic Lifetimes and Hyperfine Energies in Alkali Like Systems

Energy Technology Data Exchange (ETDEWEB)

Tanner, Carol E.

2005-03-04

Financial support of this research project has lead to advances in the study of atomic structure through precision measurements of atomic lifetimes, energy splittings, and transitions energies. The interpretation of data from many areas of physics and chemistry requires an accurate understanding of atomic structure. For example, scientists in the fields of astrophysics, geophysics, and plasma fusion depend on transition strengths to determine the relative abundances of elements. Assessing the operation of discharges and atomic resonance line filters also depends on accurate knowledge of transition strengths. Often relative transition strengths are measured precisely, but accurate atomic lifetimes are needed to obtain absolute values. Precision measurements of atomic lifetimes and energy splittings also provide fundamentally important atomic structure information. Lifetimes of allowed transitions depend most strongly on the electronic wave function far from the nucleus. Alternatively, hyperfine splittings give important information about the electronic wave function in the vicinity of the nucleus as well as the structure of the nucleus. Our main focus throughout this project has been the structure of atomic cesium because of its connection to the study of atomic parity nonconservation (PNC). The interpretation of atomic PNC experiments in terms of weak interaction coupling constants requires accurate knowledge of the electronic wave function near the nucleus as well as far from the nucleus. It is possible to address some of these needs theoretically with sophisticated many-electron atomic structure calculations. However, this program has been able to address these needs experimentally with a precision that surpasses current theoretical accuracy. Our measurements also play the important role of providing a means for testing the accuracy of many-electron calculations and guiding further theoretical development, Atomic systems such as cesium, with a single electron

Bounds on the g/sub K//sub N//sub Σ/ 2 coupling constant from positivity and charge-exchange data

International Nuclear Information System (INIS)

Antolin, J.

1987-01-01

Positivity of the imaginary part of the forward K - n elastic amplitude on the unphysical cut allows the calculation of bounds on the g/sub K//sub N//sub Σ/ 2 coupling constant using the forward differential cross sections of the charge-exchange reaction K - p→K-bar 0 n, the scarce K - n real-part data, and a Stieltjes parametrization of the K - p real-part data. The bounds on the coupling constant are 2.11 2 - n amplitude: (0.35 +- 0.05) +- (0.16 +- 0.04)i GeV/c

Radiative muon capture and induced pseudoscalar coupling constant in nuclear matter

International Nuclear Information System (INIS)

Cheoun, Myung Ki; Kim, K S; Choi, T K

2003-01-01

Radiative muon capture is studied to investigate the induced pseudoscalar coupling constant g P in nuclear matter. According to the recent TRIUMF experiment for μ - p → nν μ γ, the g P was surprisingly larger than the value obtained from μ - p → nν μ experiment by as much as 44%. The result may affect seriously theoretical interpretations of the experimental results for the radiative muon captures in finite nuclei. In view of the recent TRIUMF result, the radiative muon capture in nuclear matter is revisited in a framework of the relativistic mean field theory

Hyperfine spectroscopic study of Laves phase HfFe2

International Nuclear Information System (INIS)

Belosevic-Cavor, J.; Novakovic, N.; Cekic, B.; Ivanovic, N.; Manasijevic, M.

2004-01-01

Hyperfine fields in HfFe 2 were measured at 181 Ta probe using the time-differential perturbed angular correlation method (TDPAC) in the temperature range 78-1200 K. Analysis of the spectra revealed two interactions with hyperfine fields of 13.82(7) T and 8.0(2) T, at 293 K. First is ascribed to the interaction at the 8a position in the cubic C15 structure. The second can be assigned to a minor amount of hexagonal C14 phase, or to an irregular position of the probe in the C15 lattice. Results of calculations using LAPW-WIEN97 are in a good agreement with experiment

The GMO sumrule and the πNN coupling constant

International Nuclear Information System (INIS)

Ericson, T.E.O.; Loiseau, B.; Thomas, A.W.

2000-01-01

The isovector GMO sumrule for forward πN scattering is critically evaluated using the precise π - p and π - d scattering lengths obtained recently from pionic atom measurements. The charged πNN coupling constant is then deduced with careful analysis of systematic and statistical sources of uncertainties. This determination gives directly from data g c 2 (GMO)/4π = 14.17±0.09 (statistic) ±0.17 (systematic) or f c 2 / 4π=0.078(11). This value is half-way between that of indirect methods (phase-shift analyses) and the direct evaluation from from backward np differential scattering cross sections (extrapolation to pion pole). From the π - p and π - d scattering lengths our analysis leads also to accurate values for (1/2)(a π - p +a π - n ) and (1/2) (a π - p -a π - n ). (orig.)

The GMO Sumrule and the πNN Coupling Constant

Science.gov (United States)

Ericson, T. E. O.; Loiseau, B.; Thomas, A. W.

The isovector GMO sumrule for forward πN scattering is critically evaluated using the precise π-p and π-d scattering lengths obtained recently from pionic atom measurements. The charged πNN coupling constant is then deduced with careful analysis of systematic and statistical sources of uncertainties. This determination gives directly from data gc2(GMO)/4π = 14.17±0.09 (statistic) ±0.17 (systematic) or fc2/ 4π=0.078(11). This value is half-way between that of indirect methods (phase-shift analyses) and the direct evaluation from from backward np differential scattering cross sections (extrapolation to pion pole). From the π-p and π-d scattering lengths our analysis leads also to accurate values for (1/2)(aπ-p+aπ-n) and (1/2) (aπ-p-aπ-n).

New Tests for Variations of the Fine Structure Constant

Science.gov (United States)

Prestage, John D.

1995-01-01

We describe a new test for possible variations of the fine structure constant, by comparisons of rates between clocks based on hyperfine transitions in alkali atomos with different atomic number Z. H- maser, Cs and Hg+ clocks have a different dependence on ia relativistic contributions of order (Z. Recent H-maser vs Hg+ clock comparison data improves laboratory limits on a time variation by 100-fold to giveFuture laser cooled clocks (Be+, Rb, Cs, Hg+, etc.), when compared, will yield the most senstive of all tests for.

Measurement of the strong coupling constant αs with hadronic jets in deep inelastic scattering

International Nuclear Information System (INIS)

Gouzevitch, Maxime

2008-12-01

In this analysis we have used the production of hard jets in neutral-current DIS for the extraction of the strong coupling constant α s . The jets have been selected in the NC DIS events at large momentum transvers 150 2 2 within the limits of the detector acceptance -0.8 Lab T B >5. Three jet observables normalized to the total NC DIS cross section have been used: Inclusive jet multiplicity as well as the production rates of 2-jet and 3-jet events. The prediction of the renormalization-group equation for the evolution of the strong coupling constant has been successfully tested for two orders of magnitude between Q=2 QeV to Q=122 GeV. The better precision on α s (m Z ) has been obtained with the combination ob the three observables at Q 2 >150 GeV 2 : α s (m Z )=0.1180±0.0007(exp.) -0.0034 +0.0050 (th.)±0.0017 (pdf.).

Signatures of van der Waals binding: A coupling-constant scaling analysis

Science.gov (United States)

Jiao, Yang; Schröder, Elsebeth; Hyldgaard, Per

2018-02-01

The van der Waals (vdW) density functional (vdW-DF) method [Rep. Prog. Phys. 78, 066501 (2015), 10.1088/0034-4885/78/6/066501] describes dispersion or vdW binding by tracking the effects of an electrodynamic coupling among pairs of electrons and their associated exchange-correlation holes. This is done in a nonlocal-correlation energy term Ecnl, which permits density functional theory calculation in the Kohn-Sham scheme. However, to map the nature of vdW forces in a fully interacting materials system, it is necessary to also account for associated kinetic-correlation energy effects. Here, we present a coupling-constant scaling analysis, which permits us to compute the kinetic-correlation energy Tcnl that is specific to the vdW-DF account of nonlocal correlations. We thus provide a more complete spatially resolved analysis of the electrodynamical-coupling nature of nonlocal-correlation binding, including vdW attraction, in both covalently and noncovalently bonded systems. We find that kinetic-correlation energy effects play a significant role in the account of vdW or dispersion interactions among molecules. Furthermore, our mapping shows that the total nonlocal-correlation binding is concentrated to pockets in the sparse electron distribution located between the material fragments.

Hyperfine structure analysis in magnetic resonance spectroscopy: from astrophysical measurements towards endogenous biosensors in human tissue; Hyperfeinstruktur-Analyse in der Magnetresonanzspektroskopie: von astrophysikalischen Messungen zu endogenen Biosensoren in menschlichem Gewebe

Energy Technology Data Exchange (ETDEWEB)

Schroeder, L. [Deutsches Krebsforschungszentrum, Heidelberg (Germany). Medizinische Physik in der Radiologie; California Univ., Berkeley, CA (United States). Dept. of Chemistry; Lawrence Berkeley National Lab., Berkeley, CA (United States). Dept. of Chemistry

2007-07-01

The hyperfine interaction of two spins is a well studied effect in atomic systems. Magnetic resonance experiments demonstrate that the detectable dipole transitions are determined by the magnetic moments of the constituents and the external magnetic field. Transferring the corresponding quantum mechanics to molecular bound nuclear spins allows for precise prediction of NMR spectra obtained from metabolites in human tissue. This molecular hyperfine structure has been neglected so far in in vivo NMR spectroscopy but contains useful information, especially when studying molecular dynamics. This contribution represents a review of the concept of applying the Breit-Rabi formalism to coupled nuclear spins and discusses the immobilization of different metabolites in anisotropic tissue revealed by 1H NMR spectra of carnosine, phosphocreatine and taurine. Comparison of atomic and molecular spin systems allows for statements on the biological constraints for direct spin-spin interactions. Moreover, the relevance of hyperfine effects on the line shapes of multiplets of indirectly-coupled spin systems with more than two constituents can be predicted by analyzing quantum mechanical parameters. As an example, the superposition of eigenstates of the AMX system of adenosine 5'-triphosphate and its application for better quantification of 31P-NMR spectra will be discussed. (orig.)

Hyperfine splitting in ordinary and muonic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Tomalak, Oleksandr [Johannes Gutenberg Universitaet, Institut fuer Kernphysik and PRISMA Cluster of Excellence, Mainz (Germany)

2018-01-15

We provide an accurate evaluation of the two-photon exchange correction to the hyperfine splitting of S energy levels in muonic hydrogen exploiting the corresponding measurements in electronic hydrogen. The proton structure uncertainty in the calculation of α{sup 5} contribution is sizably reduced. (orig.)

Hyperfine magnetic fields of disorder systems by 57Fe Moessbauer spectroscopy

International Nuclear Information System (INIS)

Miglierini, M.; Sitek, J.; Lipka, J.

1994-01-01

The feasibility of 57 Fe transmission Moessbauer spectroscopy in the study of hyperfine magnetic fields is described with emphasis on amorphous, nanocrystalline and quasicrystalline alloys. Distributions of hyperfine magnetic fields obtained are presented via three-dimensional projects where effects of sample composition, temperature and annealing time on magnetic structure are followed by changes in probability of the field values. This allows magnetic transitions as well as mixed electric-quadrupole and magnetic-dipole interactions to be observed

Top and Higgs mass predictions in supersymmetric SU(5) model with big top quark Yukawa coupling constant

International Nuclear Information System (INIS)

Krasnikov, N.V.; Rodenberg, R.

1993-01-01

From the requirement of the absence of the Landau pole singularity for the effective top quark Yukawa coupling constant up to Planck scale in SU(5) supersymmetric model we find an upper bound m t ≤ 187 GeV for the top quark mass. For the SU(5) fixed point renormalization group solution for top quark Yukawa coupling constant which can be interpreted as the case of composite superhiggs we find that m t ≥ 140 GeV. Similar bound takes place in all models with big anti h t (m t ). For m t ≤ 160 GeV we find also that the Higgs boson is lighter than m Z and hence it can be discovered at LEP2

SQSQh: 1H-detected SQ-SQ Experiment for Determination of Signed Silicon-Carbon Coupling Constants

Czech Academy of Sciences Publication Activity Database

Blechta, Vratislav; Schraml, Jan

2010-01-01

Roč. 48, č. 6 (2010), s. 464-470 ISSN 0749-1581 R&D Projects: GA AV ČR IAA400720706 Institutional research plan: CEZ:AV0Z40720504 Keywords : nmr * sqsq sequence * sign of coupling constant Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 1.247, year: 2010

Temperature dependence of the magnetic hyperfine field at an s–p impurity diluted in RNi_2

International Nuclear Information System (INIS)

Oliveira, A.L. de; Chaves, C.M.; Oliveira, N.A. de; Troper, A.

2016-01-01

We study the formation of local magnetic moments and magnetic hyperfine fields at an s–p impurity diluted in intermetallic Laves phase compounds RNi_2 (R=Nd, Sm, Gd, Tb, Dy) at finite temperatures. We start with a clean host and later the impurity is introduced. The host has two-coupled (R and Ni) sublattice Hubbard Hamiltonians but the Ni sublattice can be disregarded because its d band, being full, is magnetically ineffective. Also, the effect of the 4f electrons of R is represented by the polarization they produce on the d band. This leaves us with a lattice of effective rare earth R-ions with polarized electrons. For the dd electronic interaction we use the Hubbard–Stratonovich identity in a functional integral approach in the static saddle point approximation. - Highlights: • Functional integral method in the static limit, producing site disorder, is used. • The site disorder is treated with the Coherent Potential Approximation (CPA). • Non magnetic Ni generates an effective lattice with only a polarized R d band. • The effective R lattice differ from the pure R metal: Results and Discussions. • The experimental curve of hyperfine fields × temperature are very well reproduced.

Hyperfine structure measurements and discovery of new energy levels in neutral praseodymium

Energy Technology Data Exchange (ETDEWEB)

Imran, Siddiqui; Khan, Shamim; Syed, Tanweer Iqbal; Gamper, Bettina; Windholz, Laurentius [Inst. f. Experimentalphysik, Techn. Univ. Graz, Petersgasse 16, A-8010 Graz (Austria)

2011-07-01

We present here 14 even and 17 odd parity new energy levels of the neutral praseodymium atom. Free praseodymium atoms in ground and excited states are produced in a hollow cathode discharge lamp by cathode sputtering. The hyperfine structure (hfs) of the spectral lines is investigated by the method of laser induced fluorescence (LIF) spectroscopy. As an example of the method used we discuss briefly the finding of the new level at 27304.431 cm{sup -1}, even parity, J=9/2 and A=690(1) MHz. Laser excitation of the line at 6004.23 Aa is performed and a LIF signal is detected at fluorescence lines 5246.709, 5412.95, 5925.10, 6107.88, 6287.02, 6419.16, and 6620.63 A. The hfs is then recorded digitally and fitted to find reliable values of angular momentum J, magnetic and electric quadrupole hyperfine constants A and B for the combining fine structure levels. Assuming an unknown upper level, a lower level is searched in the data base of known levels, having the J and A values determined from the fit procedure. A level with 10654.11 cm{sup -1}, odd parity, J=7/2 and A=169(2) MHz is found. The energy of the upper level is calculated by adding the center of gravity wave number of the excited line to the energy of the lower level. The existence of the new level is checked by at least one additional laser excitation from another known lower level.

Hyperfine interaction studies with pulsed heavy-ion beams

International Nuclear Information System (INIS)

Raghavan, P.

1985-01-01

Heavy-ion reactions using pulsed beams have had a strong impact on the study of hyperfine interactions. Unique advantages offered by this technique have considerably extended the scope, detail and systematic range of its applications beyond that possible with radioactivity or light-ion reaction. This survey will cover a brief description of the methodological aspects of the field and recent applications to selected problems in nuclear and solid state physiscs illustrating its role. These include measurements of nuclear magnetic and electric quadrupole moments of high spin isomers, measurements of hyperfine magnetic fields at impurities in 3d and rare-earths ferromagnetic hosts, studies of paramagnetic systems, especially those exhibiting valence instabilities, and investigations of electric field gradients of impurities in noncubic metals. Future prospects of this technique will be briefly assessed. (orig.)

The strong coupling constant of QCD with four flavors

Energy Technology Data Exchange (ETDEWEB)

Tekin, Fatih

2010-11-01

In this thesis we study the theory of strong interaction Quantum Chromodynamics on a space-time lattice (lattice QCD) with four flavors of dynamical fermions by numerical simulations. In the early days of lattice QCD, only pure gauge field simulations were accessible to the computational facilities and the effects of quark polarization were neglected. The so-called fermion determinant in the path integral was set to one (quenched approximation). The reason for this approximation was mainly the limitation of computational power because the inclusion of the fermion determinant required an enormous numerical effort. However, for full QCD simulations the virtual quark loops had to be taken into account and the development of new machines and new algorithmic techniques made the so-called dynamical simulations with at least two flavors possible. In recent years, different collaborations studied lattice QCD with dynamical fermions. In our project we study lattice QCD with four degenerated flavors of O(a) improved Wilson quarks in the Schroedinger functional scheme and calculate the energy dependence of the strong coupling constant. For this purpose, we determine the O(a) improvement coefficient c{sub sw} with four flavors and use this result to calculate the step scaling function of QCD with four flavors which describes the scale evolution of the running coupling. Using a recursive finite-size technique, the {lambda} parameter is determined in units of a technical scale L{sub max} which is an unambiguously defined length in the hadronic regime. The coupling {alpha}{sub SF} of QCD in the so-called Schroedinger functional scheme is calculated over a wide range of energies non-perturbatively and compared with 2-loop and 3-loop perturbation theory as well as with the non-perturbative result for only two flavors. (orig.)

The strong coupling constant of QCD with four flavors

International Nuclear Information System (INIS)

Tekin, Fatih

2010-01-01

In this thesis we study the theory of strong interaction Quantum Chromodynamics on a space-time lattice (lattice QCD) with four flavors of dynamical fermions by numerical simulations. In the early days of lattice QCD, only pure gauge field simulations were accessible to the computational facilities and the effects of quark polarization were neglected. The so-called fermion determinant in the path integral was set to one (quenched approximation). The reason for this approximation was mainly the limitation of computational power because the inclusion of the fermion determinant required an enormous numerical effort. However, for full QCD simulations the virtual quark loops had to be taken into account and the development of new machines and new algorithmic techniques made the so-called dynamical simulations with at least two flavors possible. In recent years, different collaborations studied lattice QCD with dynamical fermions. In our project we study lattice QCD with four degenerated flavors of O(a) improved Wilson quarks in the Schroedinger functional scheme and calculate the energy dependence of the strong coupling constant. For this purpose, we determine the O(a) improvement coefficient c sw with four flavors and use this result to calculate the step scaling function of QCD with four flavors which describes the scale evolution of the running coupling. Using a recursive finite-size technique, the Λ parameter is determined in units of a technical scale L max which is an unambiguously defined length in the hadronic regime. The coupling α SF of QCD in the so-called Schroedinger functional scheme is calculated over a wide range of energies non-perturbatively and compared with 2-loop and 3-loop perturbation theory as well as with the non-perturbative result for only two flavors. (orig.)

Density functional study of electronic, magnetic and hyperfine properties of [M(CN)5 NO]2- (M=Fe, Ru) and reduction products

International Nuclear Information System (INIS)

Gomez, J.A.; Guenzburger, Diana

1999-06-01

The Discrete Variational method (DVM) in density functional theory was employed to investigate the electronic structure of the complexes [Fe(CN) 5 NO] 2- (Nitroprusside), [Fe(CN) 5 NO] 3- , [Fe(CN) 4 NO] 2- , [Ru(CN) 5 NO] 2- and [Ru(CN) 5 NO] 3- . Total energy calculations revealed that in pentacyano nitrosyl ferrate (I) and pentacyano nitrosyl ruthenate (I), which are paramagnetic ions containing one unpaired electron, the M-N-O angle is bent, having values of 152.5 deg and 144 deg, respectively. From self-consistent spin-polarized calculations, the distribution of unpaired electron in the paramagnetic complexes [Fe(CN) 5 NO] 3, [Fe(CN) 4 NO] 2- and [Ru(CN) 5 NO] 3- was obtained as well as spin-density maps. A long-standing controversy regarding the configuration of [Fe(CN) 5 NO] 3- was elucidated, and it was found that the unpaired electron in this complex is in an orbital primarily localized on π * (NO). Moessbauer quadrupole splittings on Fe and Ru were derived from calculations of the electric-field gradients. Magnetic hyperfine coupling constants on No of the NO ligand were also obtained for the paramagnetic complexes. (author)

The inductively coupled plasma as a source for the measurement of fundamental spectroscopic constants

International Nuclear Information System (INIS)

Farnsworth, P.B.

1993-01-01

Inductively coupled plasmas (ICPs) are stable, robust sources for the generation of spectra from neutral and singly ionized atoms. They are used extensively for analytical spectrometry, but have seen limited use for the measurement of fundamental spectroscopic constants. Several properties of the ICP affect its suitability for such fundamental measurements. They include: spatial structure, spectral background, noise characteristics, electron densities and temperatures, and the state of equilibrium in the plasma. These properties are particularly sensitive to the means by which foreign atoms are introduced into the plasma. With some departures from the operating procedures normally used in analytical measurements, the ICP promise to be a useful source for the measurement of fundamental atomic constants. (orig.)

Complete analytic results for radiative-recoil corrections to ground-state muonium hyperfine splitting

International Nuclear Information System (INIS)

Karshenboim, S.G.; Shelyuto, V.A.; Eides, M.E.

1988-01-01

Analytic expressions are obtained for radiative corrections to the hyperfine splitting related to the muon line. The corresponding contribution amounts to (Z 2 a) (Za) (m/M) (9/2 ζ(3) - 3π 2 ln 2 + 39/8) in units of the Fermi hyperfine splitting energy. A complete analytic result for all radiative-recoil corrections is also presented

Hyperfine structure of the S- and P-wave states of muonic deuterium

International Nuclear Information System (INIS)

Martynenko, A. P.; Martynenko, G. A.; Sorokin, V. V.; Faustov, R. N.

2016-01-01

Corrections of order α"5 and α"6 to the hyperfine structure of the S- and P-wave states of muonic deuteriumwere calculated on the basis of the quasipotential approach in quantum electrodynamics. Relativistic corrections, vacuum-polarization and deuteron-structure effects, and recoil corrections were taken into account in this calculation. The resulting hyperfine-splitting values can be used in a comparison with experimental data obtained by the CREMA Collaboration.

Proceedings of 4 conference on hyperfine interaction spectroscopic investigations

International Nuclear Information System (INIS)

Shpinel', V.S.

1992-01-01

Results of theoretical and experimental investigations on nuclear-spectroscopy of hyperfine interactions are presented. Possibility of the data use for technological and materials sceince problems is demonstrated

On Geometric Probability, Holography, Shilov Boundaries and the Four Physical Coupling Constants of Nature

Directory of Open Access Journals (Sweden)

Castro C.

2005-07-01

Full Text Available By recurring to Geometric Probability methods, it is shown that the coupling constants, αEM; αW; αC associated with Electromagnetism, Weak and the Strong (color force are given by the ratios of the ratios of the measures of the Shilov boundaries Q2=S1×RP1; Q3=S2×RP1; S5, respectively, with respect to the ratios of the measures μ[Q5]/μN[Q5] associated with the 5D conformally compactified real Minkowski spacetime ˉ M5 that has the same topology as the Shilov boundary Q5 of the 5 complex-dimensional poly-disc D5. The homogeneous symmetric complex domain D5=SO(5,2/SO(5×SO(2 corresponds to the conformal relativistic curved 10 real-dimensional phase space H10 associated with a particle moving in the 5D Anti de Sitter space AdS5. The geometric coupling constant associated to the gravitational force can also be obtained from the ratios of the measures involving Shilov boundaries. We also review our derivation of the observed vacuum energy density based on the geometry of de Sitter (Anti de Sitter spaces.

Coupling constant metamorphosis as an integrability-preserving transformation for general finite-dimensional dynamical systems and ODEs

Energy Technology Data Exchange (ETDEWEB)

Sergyeyev, Artur, E-mail: Artur.Sergyeyev@math.slu.cz [Mathematical Institute, Silesian University in Opava, Na Rybníčku 1, 746 01 Opava (Czech Republic)

2012-06-04

In the present Letter we extend the multiparameter coupling constant metamorphosis, also known as the generalized Stäckel transform, from Hamiltonian dynamical systems to general finite-dimensional dynamical systems and ODEs. This transform interchanges the values of integrals of motion with the parameters these integrals depend on but leaves the phase space coordinates intact. Sufficient conditions under which the transformation in question preserves integrability and a simple formula relating the solutions of the original system to those of the transformed one are given. -- Highlights: ► We consider the multiparameter coupling constant metamorphosis (MCCM). ► The latter is also known as the generalized Stäckel transform. ► This transform is extended to general (non-Hamiltonian) finite-dimensional dynamical systems. ► The extended transform preserves integrability just as the original MCCM. ► A simple formula for transforming solutions under MCCM is given.

Coupling constant metamorphosis as an integrability-preserving transformation for general finite-dimensional dynamical systems and ODEs

International Nuclear Information System (INIS)

Sergyeyev, Artur

2012-01-01

In the present Letter we extend the multiparameter coupling constant metamorphosis, also known as the generalized Stäckel transform, from Hamiltonian dynamical systems to general finite-dimensional dynamical systems and ODEs. This transform interchanges the values of integrals of motion with the parameters these integrals depend on but leaves the phase space coordinates intact. Sufficient conditions under which the transformation in question preserves integrability and a simple formula relating the solutions of the original system to those of the transformed one are given. -- Highlights: ► We consider the multiparameter coupling constant metamorphosis (MCCM). ► The latter is also known as the generalized Stäckel transform. ► This transform is extended to general (non-Hamiltonian) finite-dimensional dynamical systems. ► The extended transform preserves integrability just as the original MCCM. ► A simple formula for transforming solutions under MCCM is given.

How precisely can the difference method determine the $\\pi$NN coupling constant?

CERN Document Server

Loiseau, B

2000-01-01

The Coulomb-like backward peak of the neutron-proton scattering differentialcross section is due to one-pion exchange. Extrapolation to the pion pole ofprecise data should allow to obtain the value of the charged pion-nucleoncoupling constant. This was classically attempted by the use of a smoothphysical function, the Chew function, built from the cross section. To improveaccuracy of such an extrapolation one has introduced a difference method. Itconsists of extrapolating the difference between the Chew function based onexperimental data and that built from a model where the pion-nucleon couplingis exactly known. Here we cross-check to which precision can work this novelextrapolation method by applying it to differences between models and betweendata and models. With good reference models and for the 162 MeV neutron-protonUppsala single energy precise data with a normalisation error of 2.3 , thevalue of the charged pion-nucleon coupling constant is obtained with anaccuracy close to 1.8

Muon spin relaxation in ferromagnets. Pt. 1

International Nuclear Information System (INIS)

Lovesey, S.W.; Karlsson, E.B.

1991-04-01

Expressions for the dipolar and hyperfine contributions to the relaxation rate of muons implanted in a ferromagnet are presented and analysed using the Heisenberg model of spin-waves including dipolar and Zeeman energies. Calculations for EuO indicate that relaxation is likely to be dominated by the hyperfine mechanism, even if the ratio of the hyperfine and dipolar coupling constants is small. The hyperfine mechanism is sensitive to the dipolar energy of the atomic spins, whereas the dipolar mechanisms depend essentially on the exchange energy. For both mechanisms there is an almost quadratic dependence on temperature, throughout much of the ordered magnetic phase, which reflects two-spin-wave difference events from the Raman-type relaxation processes. (author)

Effect of vanadium neighbors on the hyperfine properties of iron-vanadium alloys

Energy Technology Data Exchange (ETDEWEB)

Elzain, M., E-mail: elzain@squ.edu.om; Yousif, A.; Gismelseed, A.; Al Rawas, A.; Widatallah, H.; Bouziane, K.; Al-Omari, I. [College of Science, Sultan Qaboos University, Physics Department (Oman)

2008-06-15

The electronic and magnetic structures of Fe-V alloys are calculated using the discrete-variational and full-potential linearized-augmented-plane wave methods. The derived hyperfine properties at Fe sites are studied against the number of Fe atoms in the neighbouring shells. As expected the magnetic hyperfine field depends strongly on the number of Fe atoms in the first and second shells of neighbours while its dependence on the variation of atoms in the third shell is weak. The calculated distribution of the magnetic hyperfine fields at the Fe sites, are compared to the experimental data of Krause et al. (Phys Rev B 61:6196-6204, 2000). The contact charge densities and the magnetic moments are also calculated. It was found that the contact charge density increases with increasing V contents and this leads to negative isomer shift on addition of V.

gDsDK*0 and gBsDK*0 coupling constants in QCD sum rules

International Nuclear Information System (INIS)

Şahin, S; Sundu, H; Azizi, K

2012-01-01

In the present study, we calculate the strong coupling constants g D s DK* 0 (800) and g B s DK* 0 (800) within the three-point QCD sum rules approach. We evaluate the correlation function of the considered vertices taking into account both D[B] and K* 0 (800) mesons as off-shell states.

Fine- and hyperfine-structure effects in molecular photoionization. I. General theory and direct photoionization

Energy Technology Data Exchange (ETDEWEB)

Germann, Matthias; Willitsch, Stefan, E-mail: stefan.willitsch@unibas.ch [Department of Chemistry, University of Basel, Klingelbergstrasse 80, 4056 Basel (Switzerland)

2016-07-28

We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra, we derive highly symmetrized forms of the squared photoionization dipole matrix elements from which we derive the salient selection and propensity rules for fine- and hyperfine resolved photoionizing transitions. Our theoretical results are validated by the analysis of the fine-structure resolved photoelectron spectrum of O{sub 2} reported by Palm and Merkt [Phys. Rev. Lett. 81, 1385 (1998)] and are used for predicting hyperfine populations of molecular ions produced by photoionization.

Fine- and hyperfine-structure effects in molecular photoionization. I. General theory and direct photoionization.

Science.gov (United States)

Germann, Matthias; Willitsch, Stefan

2016-07-28

We develop a model for predicting fine- and hyperfine intensities in the direct photoionization of molecules based on the separability of electron and nuclear spin states from vibrational-electronic states. Using spherical tensor algebra, we derive highly symmetrized forms of the squared photoionization dipole matrix elements from which we derive the salient selection and propensity rules for fine- and hyperfine resolved photoionizing transitions. Our theoretical results are validated by the analysis of the fine-structure resolved photoelectron spectrum of O2 reported by Palm and Merkt [Phys. Rev. Lett. 81, 1385 (1998)] and are used for predicting hyperfine populations of molecular ions produced by photoionization.

/sup 13/C-/sup 13/C spin-spin coupling constants in structural investigations. I. New method of determining the configuration of oximes and their derivatives

Energy Technology Data Exchange (ETDEWEB)

Krivdin, L.B.; Shcherbakov, V.V.; Kalabin, G.A.

1986-07-10

It was shown that the direct /sup 13/C-/sup 13/C spin-spin coupling constants can be used for the unambiguous identification of the configurational isomers of oximes and their derivatives. The stereospecificity of the constants is explained by the additional contribution from the unshared electron pair of the nitrogen atom to the spin-spin coupling constant between the adjacent carbon nuclei in the cis position.

Hyperfine interactions and structural features of Fe–44Co–6Mo (wt.%) nanostructured powders

International Nuclear Information System (INIS)

Moumeni, Hayet; Nemamcha, Abderrafik; Alleg, Safia; Grenèche, Jean Marc

2013-01-01

Nanocrystalline Fe–44Co–6Mo (wt.%) powders have been prepared by high-energy ball milling from elemental Fe, Co and Mo pure powders in a P7 planetary ball mill. The obtained powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and Mössbauer spectrometry techniques. The influence of milling process and Mo substitution for Co in equiatomic FeCo have been examined in order to study structural evolution and formation mechanism of nanostructured Fe(CoMo) solid solution. XRD results show the formation of a BCC Fe(CoMo) solid solution (a = 0.2874 nm) where unmixed nanocrystalline Mo with a BCC structure is embedded. Disordered Fe(CoMo) solid solution is characterized by a broad hyperfine magnetic field distribution with two regions centered at B 1 = 35.0 T and B 2 = 30.7 T, respectively, attributed to disordered Fe(Co) solid solution and CoMo enriched environments. Prolonged milling and Mo addition cause the decrease of average hyperfine magnetic field while the average isomer shift remains nearly constant. - Highlights: ► BCC nanostructured Fe(CoMo) solid solution is prepared by milling of Fe, Co and Mo. ► Formation mechanism: Co diffusion into Fe lattice and Mo dissolution in Fe(Co). ► Crystallite size of Fe(CoMo) solid solution reaches 11 nm after 24 h of milling. ► Mössbauer analysis reveals 3 components: high field, enriched Co and low field

Hyperfine interactions and structural features of Fe–44Co–6Mo (wt.%) nanostructured powders

Energy Technology Data Exchange (ETDEWEB)

Moumeni, Hayet, E-mail: hmoumeni@yahoo.fr [Laboratoire de Chimie Computationnelle et Nanostructures, Département des Sciences de la Matière, Faculté des Mathématiques et de l' Informatique et des Sciences de la Matière, Université 08 Mai 1945 - Guelma, B.P. 401, Guelma 24000 (Algeria); Nemamcha, Abderrafik [Laboratoire d' Analyses Industrielles et Génie des Matériaux, Faculté des Sciences et de la Technologie, Université 08 Mai 1945 - Guelma, B.P. 401, Guelma 24000 (Algeria); Alleg, Safia [Laboratoire de Magnétisme et de Spectroscopie des Solides, Département de Physique, Faculté des Sciences, Université de Annaba, B.P. 12, Annaba 23000 (Algeria); Grenèche, Jean Marc [Laboratoire de Physique de l' Etat Condensé, UMR CNRS 6087, Institut de Recherche en Ingénierie Moléculaire et Matériaux Fonctionnels IRIM2F, FR CNRS 2575, Université du Maine, 72085 Le Mans Cedex 9 (France)

2013-02-15

Nanocrystalline Fe–44Co–6Mo (wt.%) powders have been prepared by high-energy ball milling from elemental Fe, Co and Mo pure powders in a P7 planetary ball mill. The obtained powders were characterized by scanning electron microscopy (SEM), X-ray diffraction (XRD) and Mössbauer spectrometry techniques. The influence of milling process and Mo substitution for Co in equiatomic FeCo have been examined in order to study structural evolution and formation mechanism of nanostructured Fe(CoMo) solid solution. XRD results show the formation of a BCC Fe(CoMo) solid solution (a = 0.2874 nm) where unmixed nanocrystalline Mo with a BCC structure is embedded. Disordered Fe(CoMo) solid solution is characterized by a broad hyperfine magnetic field distribution with two regions centered at B{sub 1} = 35.0 T and B{sub 2} = 30.7 T, respectively, attributed to disordered Fe(Co) solid solution and CoMo enriched environments. Prolonged milling and Mo addition cause the decrease of average hyperfine magnetic field while the average isomer shift remains nearly constant. - Highlights: ► BCC nanostructured Fe(CoMo) solid solution is prepared by milling of Fe, Co and Mo. ► Formation mechanism: Co diffusion into Fe lattice and Mo dissolution in Fe(Co). ► Crystallite size of Fe(CoMo) solid solution reaches 11 nm after 24 h of milling. ► Mössbauer analysis reveals 3 components: high field, enriched Co and low field.

Correlated calculations of indirect nuclear spin-spin coupling constants using second-order polarization propagator approximations: SOPPA and SOPPA(CCSD)

DEFF Research Database (Denmark)

Enevoldsen, Thomas; Oddershede, Jens; Sauer, Stephan P. A.

1998-01-01

We present correlated calculations of the indirect nuclear spin-spin coupling constants of HD, HF, H2O, CH4, C2H2, BH, AlH, CO and N2 at the level of the second-order polarization propagator approximation (SOPPA) and the second-order polarization propagator approximation with coupled-cluster sing...

Comment on contact contributions to the magnetic hyperfine interaction of rare-earth impurities in iron

International Nuclear Information System (INIS)

Bernas, H.

1977-01-01

The influence of the strong d character of the Fe conduction band on the hyperfine interaction of dilute rare earth impurities is emphasized, and the contact contributions are estimated. Apparent inconsistencies between hyperfine field measurements for Eu and Gd in Fe are noted

Fine and hyperfine collisional excitation of C6H by He

Science.gov (United States)

Walker, Kyle M.; Lique, François; Dawes, Richard

2018-01-01

Hydrogenated carbon chains have been detected in interstellar and circumstellar media and accurate modelling of their abundances requires collisional excitation rate coefficients with the most abundant species. Among them, the C6H molecule is one of the most abundant towards many lines of sight. Hence, we determined fine and hyperfine-resolved rate coefficients for the excitation of C6H(X2Π) due to collisions with He. We present the first interaction potential energy surface for the C6H-He system, obtained from highly correlated ab initio calculations and characterized by a large anisotropy due to the length of the molecule. We performed dynamical calculations for transitions among the first fine structure levels (up to J = 30.5) of both spin-orbit manifolds of C6H using the close-coupling method, and rate coefficients are determined for temperatures ranging from 5 to 100 K. The largest rate coefficients for even ΔJ transitions conserve parity, while parity-breaking rate coefficients are favoured for odd ΔJ. Spin-orbit changing rate coefficients are several orders of magnitude lower than transitions within a single manifold. State-to-state hyperfine-resolved cross-sections for the first levels (up to J = 13.5) in the Ω = 3/2 spin-orbit manifold are deduced using recoupling techniques. Rate coefficients are obtained and the propensity rule ΔJ = ΔF is seen. These new data will help determine the abundance of C6H in astrophysical environments such as cold dense molecular clouds, star-forming regions and circumstellar envelopes, and will help in the interpretation of the puzzling C6H-/C6H abundance ratios deduced from observations.

Torsionally mediated spin-rotation hyperfine splittings at moderate to high J values in methanol

Science.gov (United States)

Belov, S. P.; Golubiatnikov, G. Yu.; Lapinov, A. V.; Ilyushin, V. V.; Alekseev, E. A.; Mescheryakov, A. A.; Hougen, J. T.; Xu, Li-Hong

2016-07-01

This paper presents an explanation based on torsionally mediated proton-spin-overall-rotation interaction for the observation of doublet hyperfine splittings in some Lamb-dip sub-millimeter-wave transitions between ground-state torsion-rotation states of E symmetry in methanol. These unexpected doublet splittings, some as large as 70 kHz, were observed for rotational quantum numbers in the range of J = 13 to 34, and K = - 2 to +3. Because they increase nearly linearly with J for a given branch, we confined our search for an explanation to hyperfine operators containing one nuclear-spin angular momentum factor I and one overall-rotation angular momentum factor J (i.e., to spin-rotation operators) and ignored both spin-spin and spin-torsion operators, since they contain no rotational angular momentum operator. Furthermore, since traditional spin-rotation operators did not seem capable of explaining the observed splittings, we constructed totally symmetric "torsionally mediated spin-rotation operators" by multiplying the E-species spin-rotation operator by an E-species torsional-coordinate factor of the form e±niα. The resulting operator is capable of connecting the two components of a degenerate torsion-rotation E state. This has the effect of turning the hyperfine splitting pattern upside down for some nuclear-spin states, which leads to bottom-to-top and top-to-bottom hyperfine selection rules for some transitions, and thus to an explanation for the unexpectedly large observed hyperfine splittings. The constructed operator cannot contribute to hyperfine splittings in the A-species manifold because its matrix elements within the set of torsion-rotation A1 and A2 states are all zero. The theory developed here fits the observed large doublet splittings to a root-mean-square residual of less than 1 kHz and predicts unresolvable splittings for a number of transitions in which no doublet splitting was detected.

Observation of the hyperfine spectrum of antihydrogen

Science.gov (United States)

Ahmadi, M.; Alves, B. X. R.; Baker, C. J.; Bertsche, W.; Butler, E.; Capra, A.; Carruth, C.; Cesar, C. L.; Charlton, M.; Cohen, S.; Collister, R.; Eriksson, S.; Evans, A.; Evetts, N.; Fajans, J.; Friesen, T.; Fujiwara, M. C.; Gill, D. R.; Gutierrez, A.; Hangst, J. S.; Hardy, W. N.; Hayden, M. E.; Isaac, C. A.; Ishida, A.; Johnson, M. A.; Jones, S. A.; Jonsell, S.; Kurchaninov, L.; Madsen, N.; Mathers, M.; Maxwell, D.; McKenna, J. T. K.; Menary, S.; Michan, J. M.; Momose, T.; Munich, J. J.; Nolan, P.; Olchanski, K.; Olin, A.; Pusa, P.; Rasmussen, C. Ø.; Robicheaux, F.; Sacramento, R. L.; Sameed, M.; Sarid, E.; Silveira, D. M.; Stracka, S.; Stutter, G.; So, C.; Tharp, T. D.; Thompson, J. E.; Thompson, R. I.; van der Werf, D. P.; Wurtele, J. S.

2017-08-01

The observation of hyperfine structure in atomic hydrogen by Rabi and co-workers and the measurement of the zero-field ground-state splitting at the level of seven parts in 1013 are important achievements of mid-twentieth-century physics. The work that led to these achievements also provided the first evidence for the anomalous magnetic moment of the electron, inspired Schwinger’s relativistic theory of quantum electrodynamics and gave rise to the hydrogen maser, which is a critical component of modern navigation, geo-positioning and very-long-baseline interferometry systems. Research at the Antiproton Decelerator at CERN by the ALPHA collaboration extends these enquiries into the antimatter sector. Recently, tools have been developed that enable studies of the hyperfine structure of antihydrogen—the antimatter counterpart of hydrogen. The goal of such studies is to search for any differences that might exist between this archetypal pair of atoms, and thereby to test the fundamental principles on which quantum field theory is constructed. Magnetic trapping of antihydrogen atoms provides a means of studying them by combining electromagnetic interaction with detection techniques that are unique to antimatter. Here we report the results of a microwave spectroscopy experiment in which we probe the response of antihydrogen over a controlled range of frequencies. The data reveal clear and distinct signatures of two allowed transitions, from which we obtain a direct, magnetic-field-independent measurement of the hyperfine splitting. From a set of trials involving 194 detected atoms, we determine a splitting of 1,420.4 ± 0.5 megahertz, consistent with expectations for atomic hydrogen at the level of four parts in 104. This observation of the detailed behaviour of a quantum transition in an atom of antihydrogen exemplifies tests of fundamental symmetries such as charge-parity-time in antimatter, and the techniques developed here will enable more-precise such tests.

Observation of the hyperfine spectrum of antihydrogen.

Science.gov (United States)

Ahmadi, M; Alves, B X R; Baker, C J; Bertsche, W; Butler, E; Capra, A; Carruth, C; Cesar, C L; Charlton, M; Cohen, S; Collister, R; Eriksson, S; Evans, A; Evetts, N; Fajans, J; Friesen, T; Fujiwara, M C; Gill, D R; Gutierrez, A; Hangst, J S; Hardy, W N; Hayden, M E; Isaac, C A; Ishida, A; Johnson, M A; Jones, S A; Jonsell, S; Kurchaninov, L; Madsen, N; Mathers, M; Maxwell, D; McKenna, J T K; Menary, S; Michan, J M; Momose, T; Munich, J J; Nolan, P; Olchanski, K; Olin, A; Pusa, P; Rasmussen, C Ø; Robicheaux, F; Sacramento, R L; Sameed, M; Sarid, E; Silveira, D M; Stracka, S; Stutter, G; So, C; Tharp, T D; Thompson, J E; Thompson, R I; van der Werf, D P; Wurtele, J S

2017-08-02

The observation of hyperfine structure in atomic hydrogen by Rabi and co-workers and the measurement of the zero-field ground-state splitting at the level of seven parts in 10 13 are important achievements of mid-twentieth-century physics. The work that led to these achievements also provided the first evidence for the anomalous magnetic moment of the electron, inspired Schwinger's relativistic theory of quantum electrodynamics and gave rise to the hydrogen maser, which is a critical component of modern navigation, geo-positioning and very-long-baseline interferometry systems. Research at the Antiproton Decelerator at CERN by the ALPHA collaboration extends these enquiries into the antimatter sector. Recently, tools have been developed that enable studies of the hyperfine structure of antihydrogen-the antimatter counterpart of hydrogen. The goal of such studies is to search for any differences that might exist between this archetypal pair of atoms, and thereby to test the fundamental principles on which quantum field theory is constructed. Magnetic trapping of antihydrogen atoms provides a means of studying them by combining electromagnetic interaction with detection techniques that are unique to antimatter. Here we report the results of a microwave spectroscopy experiment in which we probe the response of antihydrogen over a controlled range of frequencies. The data reveal clear and distinct signatures of two allowed transitions, from which we obtain a direct, magnetic-field-independent measurement of the hyperfine splitting. From a set of trials involving 194 detected atoms, we determine a splitting of 1,420.4 ± 0.5 megahertz, consistent with expectations for atomic hydrogen at the level of four parts in 10 4 . This observation of the detailed behaviour of a quantum transition in an atom of antihydrogen exemplifies tests of fundamental symmetries such as charge-parity-time in antimatter, and the techniques developed here will enable more-precise such tests.

Hyperfine interactions, the key to multiquark physics?

International Nuclear Information System (INIS)

Likpink, H.J.

1988-01-01

Clues in the search for a fundamental description of hadron physics based on QCD may be obtained from a phenomenological constituent quark model in which the color-electric force binds quarks into saturated color-singlet hadrons, and finer details of the spectrum and multiquark physics are dominated by the color-magnetic hyperfine interaction. 47 refs

Hyperfine interactions, the key to multiquark physics

Energy Technology Data Exchange (ETDEWEB)

Likpink, H.J.

1988-08-08

Clues in the search for a fundamental description of hadron physics based on QCD may be obtained from a phenomenological constituent quark model in which the color-electric force binds quarks into saturated color-singlet hadrons, and finer details of the spectrum and multiquark physics are dominated by the color-magnetic hyperfine interaction. 47 refs.

Optical dephasing, hyperfine structure, and hyperfine relaxation associated with the 580.8-nm 7F0-5D0 transition of europium in Eu/sup 3+/:Y2O3

International Nuclear Information System (INIS)

Babbitt, W.R.; Lezama, A.; Mossberg, T.W.

1989-01-01

We have employed spectral-hole-burning, coherent-transient, and optical-rf double-resonance techniques to measure various parameters associated with the 580.8-nm 7 F 0 - 5 D 0 transition of Eu/sup 3+/ doped into Y 2 O 3 . In particular, we have measured the hyperfine splittings of the terminal levels (for both /sup 151/Eu and /sup 153/Eu), an effective thermalization rate of the ground-state ( 7 F 0 ) hyperfine manifold over the temperature range of ≅4--15 K, and the homogeneous linewidth of the optical transition over the range of ≅14--35 K. Large ratios of inhomogeneous to homogeneous linewidth at elevated temperatures (10 3 at 25 K) and long ground-state hyperfine thermalization times (>30 h at 4 K) make this an interesting crystal in the context of spectrally addressable optical memories

SmB6 electron-phonon coupling constant from time- and angle-resolved photoelectron spectroscopy

Science.gov (United States)

Sterzi, A.; Crepaldi, A.; Cilento, F.; Manzoni, G.; Frantzeskakis, E.; Zacchigna, M.; van Heumen, E.; Huang, Y. K.; Golden, M. S.; Parmigiani, F.

2016-08-01

SmB6 is a mixed valence Kondo system resulting from the hybridization between localized f electrons and delocalized d electrons. We have investigated its out-of-equilibrium electron dynamics by means of time- and angle-resolved photoelectron spectroscopy. The transient electronic population above the Fermi level can be described by a time-dependent Fermi-Dirac distribution. By solving a two-temperature model that well reproduces the relaxation dynamics of the effective electronic temperature, we estimate the electron-phonon coupling constant λ to range from 0.13 ±0.03 to 0.04 ±0.01 . These extremes are obtained assuming a coupling of the electrons with either a phonon mode at 10 or 19 meV. A realistic value of the average phonon energy will give an actual value of λ within this range. Our results provide an experimental report on the material electron-phonon coupling, contributing to both the electronic transport and the macroscopic thermodynamic properties of SmB6.

Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals

Science.gov (United States)

Cho, Daeheum; Ko, Kyoung Chul; Ikabata, Yasuhiro; Wakayama, Kazufumi; Yoshikawa, Takeshi; Nakai, Hiromi; Lee, Jin Yong

2015-01-01

The intramolecular magnetic coupling constant (J) of diradical systems linked with five- or six-membered aromatic rings was calculated to obtain the scaling factor (experimental J/calculated J ratio) for various density functional theory (DFT) functionals. Scaling factors of group A (PBE, TPSSh, B3LYP, B97-1, X3LYP, PBE0, and BH&HLYP) and B (M06-L, M06, M06-2X, and M06-HF) were shown to decrease as the amount of Hartree-Fock exact exchange (HFx) increases, in other words, overestimation of calculated J becomes more severe as the HFx increases. We further investigated the effect of HFx fraction of DFT functional on J value, spin contamination, and spin density distributions by comparing the B3LYP analogues containing different amount of HFx. It was revealed that spin contamination and spin densities at each atom increases as the HFx increases. Above all, newly developed BLYP-5 functional, which has 5% of HFx, was found to have the scaling factor of 1.029, indicating that calculated J values are very close to that of experimental values without scaling. BLYP-5 has potential to be utilized for accurate evaluation of intramolecular magnetic coupling constant (J) of diradicals linked by five- or six-membered aromatic ring couplers.

Effect of Hartree-Fock exact exchange on intramolecular magnetic coupling constants of organic diradicals

Energy Technology Data Exchange (ETDEWEB)

Cho, Daeheum; Ko, Kyoung Chul; Lee, Jin Yong, E-mail: jinylee@skku.edu [Department of Chemistry, Sungkyunkwan University, Suwon 440-746 (Korea, Republic of); Ikabata, Yasuhiro; Wakayama, Kazufumi; Yoshikawa, Takeshi [Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan); Nakai, Hiromi, E-mail: nakai@waseda.jp [Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan); Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555 (Japan); CREST, Japan Science and Technology Agency, Tokyo 102-0075 (Japan); Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Katsura, Kyoto 615-8520 (Japan)

2015-01-14

The intramolecular magnetic coupling constant (J) of diradical systems linked with five- or six-membered aromatic rings was calculated to obtain the scaling factor (experimental J/calculated J ratio) for various density functional theory (DFT) functionals. Scaling factors of group A (PBE, TPSSh, B3LYP, B97-1, X3LYP, PBE0, and BH and HLYP) and B (M06-L, M06, M06-2X, and M06-HF) were shown to decrease as the amount of Hartree-Fock exact exchange (HFx) increases, in other words, overestimation of calculated J becomes more severe as the HFx increases. We further investigated the effect of HFx fraction of DFT functional on J value, spin contamination, and spin density distributions by comparing the B3LYP analogues containing different amount of HFx. It was revealed that spin contamination and spin densities at each atom increases as the HFx increases. Above all, newly developed BLYP-5 functional, which has 5% of HFx, was found to have the scaling factor of 1.029, indicating that calculated J values are very close to that of experimental values without scaling. BLYP-5 has potential to be utilized for accurate evaluation of intramolecular magnetic coupling constant (J) of diradicals linked by five- or six-membered aromatic ring couplers.

Calculations of hyperfine interactions in transition metal compounds in the local density approximation

International Nuclear Information System (INIS)

Guenzburger, D.J.R.

1982-01-01

A survey is made of some theoretical calculations of electrostatic and magnetic hyperfine interactions in transition metal compounds and complex irons. The molecular orbital methods considered are the Multiple Scattering and Discrete Variational, in which the local Xα approximation for the exchange interaction is employed. Emphasis is given to the qualitative informations, derived from the calculations, relating the hyperfine parameters to characteristics of the chemical bonds. (Author) [pt

A New Experiment for the Measurement of nJ(C,P) Coupling Constants Including 3J(C4'i,Pi) and 3J(C4'i,Pi+1) in Oligonucleotides

International Nuclear Information System (INIS)

Richter, Christian; Reif, Bernd; Woerner, Karlheinz; Quant, Stefanie; Marino, John P.; Engels, Joachim W.; Griesinger, Christian; Schwalbe, Harald

1998-01-01

A new experiment for the measurement of nJ(C,P) coupling constants along the phosphodiester backbone in RNA and DNA based on a quantitative-J HCP experiment is presented. In addition to coupling constants, in which a carbon atom couples to only one phosphorus atom, both the intraresidual 3J(C4'i,Pi) and the sequential 3J(C4'i,Pi+1) for the C4' resonances that couple to two phosphorus atoms can be obtained. Coupling constants obtained by this new method are compared to values obtained from the P-FIDS experiment. Together with 3J(H,P) coupling constants measured using the P-FIDS experiment, the backbone angles β and element of can be determined

Investigation of ferromagnetic spinel semiconductors by hyperfine interactions of implanted nuclear probes

CERN Document Server

Samokhvalov, V; Dietrich, M; Schneider, F; Tiginyanu, I M; Tsurkan, V; Unterricker, S

2003-01-01

The semiconducting ferromagnetic spinel compounds CdCr//2Se //4, CdCr //2S//4, HgCr//2Se//4 and CuCr//2Se//4 (metallic) were investigated by the perturbed angular correlations (PAC) method with the radioactive probes **1**1**1In, **1**1**1**mCd, **1**1**1Ag, **1**1**7Cd, **1**9**9**mHg and **7**7Br. The probes were implanted at the ISOLDE on-line separator (CERN-Geneva) into single crystals. From the time dependence of the PAC spectra and the measured hyperfine interaction parameters: electric field gradient and magnetic hyperfine field, the probe positions and the thermal behavior of the probes could be determined. Cd, Ag and Hg are substituted at the A-site, In at the A- and B-site in the semiconducting compounds and Br at the anion position. Electric and magnetic hyperfine fields were used as test quantities for theoretical charge and spin density distributions of LAPW calculations (WIEN97).

Investigating the solvent and temperature effects on the cyclohexadienyl radical in an ionic liquid

International Nuclear Information System (INIS)

Taylor, Becky; Cormier, P.J.; Lauzon, J.M.; Ghandi, Khashayar

2009-01-01

The cyclohexadienyl radical was studied in a novel green solvent; tetradecyl (trihexyl) phosphonium chloride ionic liquid (IL 101). Both the solvent effects and how the hyperfine coupling changes with respect to temperature have been examined and compared to literature. This was done through experimental muon techniques at the TRIUMF National Laboratory in Canada as well as through ab initio calculations. The ionic liquid solvent effects were found to be consistent with other solvents, when assuming ionic liquids to be a combination of ion pairs. In ionic liquid the hyperfine coupling constants of the proton and reduced muon decreased linearly with increasing temperature. The analysis showed that the majority of this relationship is due to a vibrational effect, although the solvent density plays a role too. The temperature effect on the entropy of the system was determined to be negligible. The temperature coefficient of the reduced muon hyperfine coupling was larger than that of the proton in IL 101 due to the effects of nearby ionic liquid molecules.

Investigating the solvent and temperature effects on the cyclohexadienyl radical in an ionic liquid

Energy Technology Data Exchange (ETDEWEB)

Taylor, Becky; Cormier, P.J.; Lauzon, J.M. [Department of Chemistry, Mount Allison University, Sackville, New Brunswick, E4L 1G3 (Canada); Ghandi, Khashayar, E-mail: kghandi@mta.c [Department of Chemistry, Mount Allison University, Sackville, New Brunswick, E4L 1G3 (Canada)

2009-04-15

The cyclohexadienyl radical was studied in a novel green solvent; tetradecyl (trihexyl) phosphonium chloride ionic liquid (IL 101). Both the solvent effects and how the hyperfine coupling changes with respect to temperature have been examined and compared to literature. This was done through experimental muon techniques at the TRIUMF National Laboratory in Canada as well as through ab initio calculations. The ionic liquid solvent effects were found to be consistent with other solvents, when assuming ionic liquids to be a combination of ion pairs. In ionic liquid the hyperfine coupling constants of the proton and reduced muon decreased linearly with increasing temperature. The analysis showed that the majority of this relationship is due to a vibrational effect, although the solvent density plays a role too. The temperature effect on the entropy of the system was determined to be negligible. The temperature coefficient of the reduced muon hyperfine coupling was larger than that of the proton in IL 101 due to the effects of nearby ionic liquid molecules.

b-dipole transitions in trans-HOCO observed by far infrared laser magnetic resonance

International Nuclear Information System (INIS)

Sears, T.J.; Radford, H.E.; Moore, M.A.

1993-01-01

Far infrared laser magnetic resonance spectroscopy is used to measure components of 12 rotational transitions in the ground state of the HOCO radical. The transitions are all b-dipole in character in contrast to the a-dipole rotational spectrum previously reported [Radford, Wei, and Sears, J. Chem. Phys. 97, 3989 (1992)]. The new data determine the A rotational constant to high precision and allow the determination of several centrifugal distortion constants for the first time. The hyperfine coupling in the radical leads to observable splittings in several of the observed transitions and these are used to estimate two of the four expected nonzero hyperfine parameters in the radical

Uppsala neutron-proton scattering measurements and the πNN coupling constant

International Nuclear Information System (INIS)

Olsson, N.; Blomgren, J.; Conde, H.; Dangtip, S.; Elmgren, K.; Rahm, J.; Roennqvist, T.; Zorro, R.; Loiseau, B.

2000-01-01

The differential np scattering cross section has been measured at 96 MeV and 162 MeV at backward angles at the neutron beam facility of the The Svedberg Laboratory in Uppsala. The angular distributions have been normalized to the experimental total np cross section. Between 150 and 180 , the angular distributions are steeper than for most previous measurements and nucleon-nucleon potential predictions, but for all the angular range covered, the data agree very well in shape with the recent PSI data. At 180 , the difference versus older data amounts to about 10%, implying serious consequences because of the fundamental importance of this cross section. Values of the charged πNN coupling constant have been extracted from the data. (orig.)

Determination of the ratio of axial-vector-to-vector weak coupling constants for beta decay of triton

CERN Document Server

Akulov, Y A

2002-01-01

Data on the chemical shifts of half-lives for atomic and molecular tritium were used to determine the ratio of axial-vector-to-vector weak coupling constants for beta decay of triton (G sub A /G sub V) sub t = -1.2646 +- 0.0035

Muon contact hyperfine field in metals: A DFT calculation

Science.gov (United States)

Onuorah, Ifeanyi John; Bonfà, Pietro; De Renzi, Roberto

2018-05-01

In positive muon spin rotation and relaxation spectroscopy it is becoming customary to take advantage of density functional theory (DFT) based computational methods to aid the experimental data analysis. DFT-aided muon site determination is especially useful for measurements performed in magnetic materials, where large contact hyperfine interactions may arise. Here we present a systematic analysis of the accuracy of the ab initio estimation of muon's hyperfine contact field on elemental transition metals, performing state-of-the-art spin-polarized plane-wave DFT and using the projector-augmented pseudopotential approach, which allows one to include the core state effects due to the spin ordering. We further validate this method in not-so-simple, noncentrosymmetric metallic compounds, presently of topical interest for their spiral magnetic structure giving rise to skyrmion phases, such as MnSi and MnGe. The calculated hyperfine fields agree with experimental values in all cases, provided the spontaneous spin magnetization of the metal is well reproduced within the approach. To overcome the known limits of the conventional mean-field approximation of DFT on itinerant magnets, we adopt the so-called reduced Stoner theory [L. Ortenzi et al., Phys. Rev. B 86, 064437 (2012), 10.1103/PhysRevB.86.064437]. We establish the accuracy of the estimated muon contact field in metallic compounds with DFT and our results show improved agreement with experiments compared to those of earlier publications.

Systematic model calculations of the hyperfine structure in light and heavy ions

CERN Document Server

Tomaselli, M; Nörtershäuser, W; Ewald, G; Sánchez, R; Fritzsche, S; Karshenboim, S G

2003-01-01

Systematic model calculations are performed for the magnetization distributions and the hyperfine structure (HFS) of light and heavy ions with a mass close to A ~ 6 208 235 to test the interplay of nuclear and atomic structure. A high-precision measurement of lithium-isotope shifts (IS) for suitable transition, combined with an accurate theoretical evaluation of the mass-shift contribution in the respective transition, can be used to determine the root-mean-square (rms) nuclear-charge radius of Li isotopes, particularly of the halo nucleus /sup 11/Li. An experiment of this type is currently underway at GSI in Darmstadt and ISOLDE at CERN. However, the field-shift contributions between the different isotopes can be evaluated using the results obtained for the charge radii, thus casting, with knowledge of the ratio of the HFS constants to the magnetic moments, new light on the IS theory. For heavy charged ions the calculated n- body magnetization distributions reproduce the HFS of hydrogen-like ions well if QED...

Nuclei quadrupole coupling constants in diatomic molecule

International Nuclear Information System (INIS)

Ivanov, A.I.; Rebane, T.K.

1993-01-01

An approximate relationship between the constants of quadrupole interaction of nuclei in a two-atom molecule is found. It enabled to establish proportionality of oscillatory-rotation corrections to these constants for both nuclei in the molecule. Similar results were obtained for the factors of electrical dipole-quadrupole screening of nuclei. Applicability of these relationships is proven by the example of lithium deuteride molecule. 4 refs., 1 tab

J-Spectroscopy in the presence of residual dipolar couplings: determination of one-bond coupling constants and scalable resolution

International Nuclear Information System (INIS)

Furrer, Julien; John, Michael; Kessler, Horst; Luy, Burkhard

2007-01-01

The access to weak alignment media has fuelled the development of methods for efficiently and accurately measuring residual dipolar couplings (RDCs) in NMR-spectroscopy. Among the wealth of approaches for determining one-bond scalar and RDC constants only J-modulated and J-evolved techniques retain maximum resolution in the presence of differential relaxation. In this article, a number of J-evolved experiments are examined with respect to the achievable minimum linewidth in the J-dimension, using the peptide PA 4 and the 80-amino-acid-protein Saposin C as model systems. With the JE-N-BIRD d,X -HSQC experiment, the average full-width at half height could be reduced to approximately 5 Hz for the protein, which allows the additional resolution of otherwise unresolved peaks by the active (J+D)-coupling. Since RDCs generally can be scaled by the choice of alignment medium and alignment strength, the technique introduced here provides an effective resort in cases when chemical shift differences alone are insufficient for discriminating signals. In favorable cases even secondary structure elements can be distinguished

Torsionally mediated spin-rotation hyperfine splittings at moderate to high J values in methanol

Energy Technology Data Exchange (ETDEWEB)

Belov, S. P.; Golubiatnikov, G. Yu.; Lapinov, A. V. [Institute of Applied Physics of the Russian Academy of Sciences, 46 Ulyanov Street, 603950 Nizhny Novgorod (Russian Federation); Ilyushin, V. V.; Mescheryakov, A. A. [Institute of Radio Astronomy of National Academy of Sciences of Ukraine, Chervonopraporna 4, 61002 Kharkov (Ukraine); Alekseev, E. A. [Institute of Radio Astronomy of National Academy of Sciences of Ukraine, Chervonopraporna 4, 61002 Kharkov (Ukraine); Quantum Radiophysics Department of V. N. Karazin Kharkiv National University, Svobody Square 4, 61022 Kharkov (Ukraine); Hougen, J. T., E-mail: jon.hougen@nist.gov [Sensor Science Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899-8441 (United States); Xu, Li-Hong [Department of Physics and Centre for Laser, Atomic, and Molecular Sciences, University of New Brunswick, Saint John, New Brunswick E2L 4L5 (Canada)

2016-07-14

This paper presents an explanation based on torsionally mediated proton-spin–overall-rotation interaction for the observation of doublet hyperfine splittings in some Lamb-dip sub-millimeter-wave transitions between ground-state torsion-rotation states of E symmetry in methanol. These unexpected doublet splittings, some as large as 70 kHz, were observed for rotational quantum numbers in the range of J = 13 to 34, and K = − 2 to +3. Because they increase nearly linearly with J for a given branch, we confined our search for an explanation to hyperfine operators containing one nuclear-spin angular momentum factor I and one overall-rotation angular momentum factor J (i.e., to spin-rotation operators) and ignored both spin-spin and spin-torsion operators, since they contain no rotational angular momentum operator. Furthermore, since traditional spin-rotation operators did not seem capable of explaining the observed splittings, we constructed totally symmetric “torsionally mediated spin-rotation operators” by multiplying the E-species spin-rotation operator by an E-species torsional-coordinate factor of the form e{sup ±niα}. The resulting operator is capable of connecting the two components of a degenerate torsion-rotation E state. This has the effect of turning the hyperfine splitting pattern upside down for some nuclear-spin states, which leads to bottom-to-top and top-to-bottom hyperfine selection rules for some transitions, and thus to an explanation for the unexpectedly large observed hyperfine splittings. The constructed operator cannot contribute to hyperfine splittings in the A-species manifold because its matrix elements within the set of torsion-rotation A{sub 1} and A{sub 2} states are all zero. The theory developed here fits the observed large doublet splittings to a root-mean-square residual of less than 1 kHz and predicts unresolvable splittings for a number of transitions in which no doublet splitting was detected.

1,2-Difluoroethane: the angular dependance on 1J(CF) coupling constants is independent of hyperconjugation.

Science.gov (United States)

Freitas, Matheus P; Bühl, Michael; O'Hagan, David

2012-02-28

1,2-Difluoroethane is widely recognised to adopt a lower energy gauche rather than anti conformation; this gauche effect has its origin in hyperconjugation; however, surprisingly the (1)J(CF) coupling constant is not influenced by hyperconjugation; instead, its magnitude changes with the overall molecular dipole. This journal is © The Royal Society of Chemistry 2012

Temperature dependence of the magnetic hyperfine field at an s–p impurity diluted in RNi{sub 2}

Energy Technology Data Exchange (ETDEWEB)

Oliveira, A.L. de, E-mail: alexandre.oliveira@ifrj.edu.br [Instituto Federal de Educação, Ciência e Tecnologia do Rio de Janeiro, Campus Nilópolis, RJ (Brazil); Chaves, C.M., E-mail: cmch@cbpf.br [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro, RJ (Brazil); Oliveira, N.A. de [Instituto de Física Armando Dias Tavares, Universidade do Estado do Rio de Janeiro, Rio de Janeiro (Brazil); Troper, A. [Centro Brasileiro de Pesquisas Físicas, Rio de Janeiro, RJ (Brazil)

2016-03-01

We study the formation of local magnetic moments and magnetic hyperfine fields at an s–p impurity diluted in intermetallic Laves phase compounds RNi{sub 2} (R=Nd, Sm, Gd, Tb, Dy) at finite temperatures. We start with a clean host and later the impurity is introduced. The host has two-coupled (R and Ni) sublattice Hubbard Hamiltonians but the Ni sublattice can be disregarded because its d band, being full, is magnetically ineffective. Also, the effect of the 4f electrons of R is represented by the polarization they produce on the d band. This leaves us with a lattice of effective rare earth R-ions with polarized electrons. For the dd electronic interaction we use the Hubbard–Stratonovich identity in a functional integral approach in the static saddle point approximation. - Highlights: • Functional integral method in the static limit, producing site disorder, is used. • The site disorder is treated with the Coherent Potential Approximation (CPA). • Non magnetic Ni generates an effective lattice with only a polarized R d band. • The effective R lattice differ from the pure R metal: Results and Discussions. • The experimental curve of hyperfine fields × temperature are very well reproduced.

Astronomical constraints on the cosmic evolution of the fine structure constant and possible quantum dimensions.

Science.gov (United States)

Carilli, C L; Menten, K M; Stocke, J T; Perlman, E; Vermeulen, R; Briggs, F; de Bruyn , A G; Conway, J; Moore, C P

2000-12-25

We present measurements of absorption by the 21 cm hyperfine transition of neutral hydrogen toward radio sources at substantial look-back times. These data are used in combination with observations of rotational transitions of common interstellar molecules to set limits on the evolution of the fine structure constant: alpha/ alphatheory, the limit on the secular evolution of the scale factor of the compact dimensions, R, is &Rdot/ Rbig bang, of DeltaR /R<10(-5).

Structural properties and hyperfine characterization of Sn-substituted goethites

Energy Technology Data Exchange (ETDEWEB)

Larralde, A.L. [INQUIMAE, Departamento de Quimica Inorganica, Analitica y Quimica Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires (Argentina); Ramos, C.P. [Departamento de Fisica de la Materia Condensada, GIyA - CAC - CNEA, Av. Gral. Paz 1499 (1650), San Martin, Bs. As. (Argentina); Arcondo, B. [Departamento de Fisica, Facultad de Ingenieria, Universidad de Buenos Aires, Av. Paseo Colon 850 (C1063ACV), Bs. As. (Argentina); Tufo, A.E. [INQUIMAE, Departamento de Quimica Inorganica, Analitica y Quimica Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires (Argentina); Saragovi, C. [Departamento de Fisica de la Materia Condensada, GIyA - CAC - CNEA, Av. Gral. Paz 1499 (1650), San Martin, Bs. As. (Argentina); Sileo, E.E., E-mail: sileo@qi.fcen.uba.ar [INQUIMAE, Departamento de Quimica Inorganica, Analitica y Quimica Fisica, Facultad de Ciencias Exactas y Naturales, Universidad de Buenos Aires (Argentina)

2012-04-16

Highlights: Black-Right-Pointing-Pointer Pure and tin-doped goethites were synthesized from Sn(II) solutions at ambient pressure and 70 Degree-Sign C. Black-Right-Pointing-Pointer The Rietveld refinement of PXRD data indicated that Sn partially substituted the Fe(III) ions. Black-Right-Pointing-Pointer The substitution provoked unit cell expansion, and a distortion of the coordination polyhedron. Black-Right-Pointing-Pointer {sup 119}Sn Moessbauer spectroscopy revealed that Sn(II) is incorporated as Sn(IV). Black-Right-Pointing-Pointer {sup 57}Fe Moessbauer spectroscopy showed a lower magnetic coupling as tin concentration increased. - Abstract: Tin-doped goethites obtained by a simple method at ambient pressure and 70 Degree-Sign C were characterized by inductively coupled plasma atomic emission spectrometry, scanning electron microscopy, Rietveld refinement of powder X-ray diffraction data, and {sup 57}Fe and {sup 119}Sn Moessbauer spectroscopy. The particles size and the length to width ratios decreased with tin-doping. Sn partially substituted the Fe(III) ions provoking unit cell expansion and increasing the crystallinity of the particles with enlarged domains that grow in the perpendicular and parallel directions to the anisotropic broadening (1 1 1) axis. Intermetallic E, E Prime and DC distances also change although the variations are not monotonous, indicating different variations in the coordination polyhedron. In general, the Sn-substituted samples present larger intermetallic distances than pure goethite, and the greatest change is shown in the E Prime distance which coincides with the c-parameter. {sup 119}Sn Moessbauer spectroscopy revealed that Sn(II) is incorporated as Sn(IV) in the samples. On the other hand, Fe(II) presence was not detected by {sup 57}Fe Moessbauer spectroscopy, suggesting the existence of vacancies in the Sn-doped samples. A lower magnetic coupling is also evidenced from the average magnetic hyperfine field values obtained as tin

Anisotropic constant-roll inflation

Energy Technology Data Exchange (ETDEWEB)

Ito, Asuka; Soda, Jiro [Kobe University, Department of Physics, Kobe (Japan)

2018-01-15

We study constant-roll inflation in the presence of a gauge field coupled to an inflaton. By imposing the constant anisotropy condition, we find new exact anisotropic constant-roll inflationary solutions which include anisotropic power-law inflation as a special case. We also numerically show that the new anisotropic solutions are attractors in the phase space. (orig.)

Loss of incoherence and determination of coupling constants in quantum gravity

International Nuclear Information System (INIS)

Giddings, S.B.; Strominger, A.

1988-01-01

The wave function of an interacting 'family' of one large 'parent' and many Planck-sized 'baby' universes is computed in a semiclassical approximation using an adaptation of Hartle-Hawking initial conditions. A recently discovered gravitational instanton which exists for general relativity coupled to axions is employed. The outcome of a single experiment in the parent universe is in general described by a mixed state, even if the initial state is pure. However, a sequence of measurements rapidly collapses the wave function of the family of universes into one of an infinite number of 'coherent' states for which quantum incoherence is not observed in the parent universe. This provides a concrete illustration of an unexpected phenomena whose existence has been argued for on quite general grounds by Coleman: Quantum incoherence due to information loss to baby universes is not experimentally observable. We further argue that all coupling constants governing dynamics in the parent universe depend on the parameters describing the particular coherent state into which the family wave function collapses. In particular, generically terms that violate any global symmetries will be induced in the effective action for the parent universe. These last results have much broader applicability than our specific model. (orig.)

Hyperfine field distributions in disordered Mn2CoSn and Mn2NiSn ...

Indian Academy of Sciences (India)

Unknown

Jha S, Seyoum H M, Demarco M, Julian G M, Stubbs D A,. Blue J W, Silva M T X and Vasquez A 1983 Hyperfine Inter- act. 15/16 685. Ritcey S P and Dunlap R A 1984 J. Appl. Phys. 55 2051. Surikov V V, Zhordochkin V N and Astakhova T Yu 1990. Hyperfine Interact. 59 469. Webster P J and Ziebeck K R A 1973 J. Phys.

/sup 13/C-/sup 13/C spin-spin coupling constants in structural investigations. II. Conformational structure of vinyl ethers

Energy Technology Data Exchange (ETDEWEB)

Krivdin, L.B.; Shcherbakov, V.V.; Bzhezovskii, V.M.; Kalabin, G.A.

1986-10-10

The /sup 13/C-/sup 13/C spin-spin coupling constants between the carbon nuclei of the vinyl group were measured for a series of vinyl ethers. It was established that the unshared electron pairs of the oxygen atom can make a substantial stereospecific contribution to the direct /sup 13/C-/sup 13/C constants of the adjacent nuclei. The observed effect was used to establish the conformational structure of the compounds.

Theory of trapping of muon and muonium and associated hyperfine interactions in the organic ferromagnet p-NPNN (β-phase)

International Nuclear Information System (INIS)

Jeong, J.; Briere, T.M.; Ohira, S.; Sahoo, N.; Nishiyama, K.; Nagamine, K.; Das, T.P.

2003-01-01

The ab initio unrestricted Hartree-Fock procedure has been applied to determine the trapping sites for the positive muon and muonium in β-phase ferromagnetic para-nitrophenyl nitronyl nitroxide and to calculate the associated electronic wave functions from which the corresponding contact and dipolar terms in the spin Hamiltonians have been obtained. For muonium, trapping sites were found near the oxygens of the two NO groups, resulting in a singlet electronic state for the overall molecular system, and also near the two oxygens of the NO 2 group, resulting in a triplet state for the overall system. For the muon a total of four trapping sites was found, corresponding to the oxygen and nitrogen atoms of the two NO groups. Using the easy axis along the b-axis of the orthorhombic sublattice, as found from muon spin rotation (μSR) measurements, and the calculated magnetic hyperfine interaction parameters, the observed 2.1 MHz zero-field μSR signal is assigned to the singlet state corresponding to muonium trapping near the oxygen of one of the NO groups. The large hyperfine constant of about 400 MHz inferred from longitudinal field repolarization measurements is assigned to a positive muon trapped near the nitrogen atom of one of the NO groups

Leggett-Garg inequalities violation via the Fermi contact hyperfine interaction

Energy Technology Data Exchange (ETDEWEB)

Lobejko, Marcin; Dajka, Jerzy [Institute of Physics, University of Silesia, Katowice (Poland); Silesian Center for Education and Interdisciplinary Research, University of Silesia, Chorzow (Poland)

2017-06-15

In this paper we examine theoretically how the spin-spin interaction between a nuclei and an electron in the atom affects violation of the Leggett-Garg inequalities. We consider the simplest case of atoms in the {sup 2}S{sub 1/2} state that in the valence shell have just a single electron and the evolution in time of the spin is dictated only by the Fermi contact hyperfine interaction. We found that for special initial conditions and a particular measured observable the high spin nucleus couple to the valence electron such that violation of Leggett-Garg inequalities increases with total spin of states. Consequently, our results show that for the Hydrogen, the smallest atom in Nature, the violation of the Leggett-Garg inequalities is the smallest whereas for the largest atom, the Cesium, the violation is the largest. Moreover, this violation does not depend on a principal quantum number, thus our model can be used for Rydberg atoms in order to test macrorealism for 'almost macroscopic' objects. (copyright 2016 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

The pure rotational spectra of the open-shell diatomic molecules PbI and SnI.

Science.gov (United States)

Evans, Corey J; Needham, Lisa-Maria E; Walker, Nicholas R; Köckert, Hansjochen; Zaleski, Daniel P; Stephens, Susanna L

2015-12-28

Pure rotational spectra of the ground electronic states of lead monoiodide and tin monoiodide have been measured using a chirped pulsed Fourier transform microwave spectrometer over the 7-18.5 GHz region for the first time. Each of PbI and SnI has a X (2)Π1/2 ground electronic state and may have a hyperfine structure that aids the determination of the electron electric dipole moment. For each species, pure rotational transitions of a number of different isotopologues and their excited vibrational states have been assigned and fitted. A multi-isotopologue Dunham-type analysis was carried out on both species producing values for Y01, Y02, Y11, and Y21, along with Λ-doubling constants, magnetic hyperfine constants and nuclear quadrupole coupling constants. The Born-Oppenheimer breakdown parameters for Pb have been evaluated and the parameter rationalized in terms of finite nuclear field effects. Analysis of the bond lengths and hyperfine interaction indicates that the bonding in both PbI and SnI is ionic in nature. Equilibrium bond lengths have been evaluated for both species.

Hyperfine interactions in the cubic semiconductor CdO

International Nuclear Information System (INIS)

Desimoni, J.; Bibiloni, A.G.; Massolo, C.P.; Renteria, M.

1990-01-01

The time-differential perturbed angular correlation technique has been applied using 111 In probes, which decay through electron capture to 111 Cd, to study the hyperfine interaction in cubic cadmium oxide, in the temperature range RT--740 degree C (RT denotes room temperature). The main fraction of probes are located in perfect-lattice sites, with null electric field gradient in agreement with crystalline-structure considerations. Around 25% of the total intensity shows an electric-field-gradient distribution around V zz =0. This corresponds to probes located in sites perturbed by the vicinity of oxygen vacancies in the lattice. The temperature-independent behavior of the measured hyperfine parameters is discussed in terms of conductivity and band-structure properties of the semiconductor. No time-dependent interaction arising from nuclear electron-capture aftereffects are seen in this experiment. This is in agreement with a previously reported model of aftereffect processes which states that only holes trapped in impurity levels inside the band gap of the semiconductor can give rise to detectable fluctuating interactions

Hyperfine interactions in the cubic semiconductor CdO

Energy Technology Data Exchange (ETDEWEB)

Desimoni, J.; Bibiloni, A.G.; Massolo, C.P.; Renteria, M. (Departamento de Fisica, Facultad de Ciencias Exactas, Universidad Nacional de La Plata, Casilla de Correo No. 67, 1900 La Plata, Argentina (AR))

1990-01-15

The time-differential perturbed angular correlation technique has been applied using {sup 111}In probes, which decay through electron capture to {sup 111}Cd, to study the hyperfine interaction in cubic cadmium oxide, in the temperature range RT--740 {degree}C (RT denotes room temperature). The main fraction of probes are located in perfect-lattice sites, with null electric field gradient in agreement with crystalline-structure considerations. Around 25% of the total intensity shows an electric-field-gradient distribution around {ital V}{sub {ital zz}}=0. This corresponds to probes located in sites perturbed by the vicinity of oxygen vacancies in the lattice. The temperature-independent behavior of the measured hyperfine parameters is discussed in terms of conductivity and band-structure properties of the semiconductor. No time-dependent interaction arising from nuclear electron-capture aftereffects are seen in this experiment. This is in agreement with a previously reported model of aftereffect processes which states that only holes trapped in impurity levels inside the band gap of the semiconductor can give rise to detectable fluctuating interactions.

Temperature dependence of the μ+ hyperfine field in ferromagnets

International Nuclear Information System (INIS)

Nagamine, K.; Nirhida, N.; Hayano, R.S.; Yamazaki, T.; Brewes, J.H.; Fleming, D.G.

1977-01-01

The temperature dependences of the μ + hyperfine fields in Ni and in Fe were found to deviate from that of the saturation magnetization in opposite senses. Difference in the screening mechanism of conduction electrons around the μ + is considered, among several possible explanations. (Auth.)

Influence of radiation damage evolution on hyperfine interactions of implanted impurities: 169Tm and 175Lu in Fe

International Nuclear Information System (INIS)

Thome, L.; Bernas, H.; Meunier, R.

1978-01-01

The hyperfine interaction of 169 Tm and 175 Lu implanted in Fe and annealed, or implanted at high temperatures, was studied by time-integral and time-differential perturbed angular correlation experiments. The heat treatment was performed in order to modify the impurity-radiation damage interaction in the sample. Comparison of our results with other hyperfine interaction results on rare earths implanted in iron shows that after room-temperature implantation, all the implanted nuclei experience the same hyperfine interaction. The annealing-and implantation-temperature dependences of the fraction of nuclei experiencing this hyperfine interaction are significantly different. The results are interpreted in terms of precipitation of an increasing proportion of implanted impurities. A discussion of their relation to the implanted impurity lattice location is presented in a companion paper

Model-independent determination of the two-photon exchange contribution to hyperfine splitting in muonic hydrogen

Energy Technology Data Exchange (ETDEWEB)

Peset, Clara; Pineda, Antonio [Grup de Física Teòrica, Dept. Física and IFAE-BIST, Universitat Autònoma de Barcelona,E-08193 Bellaterra (Barcelona) (Spain)

2017-04-11

We obtain a model-independent prediction for the two-photon exchange contribution to the hyperfine splitting in muonic hydrogen. We use the relation of the Wilson coefficients of the spin-dependent dimension-six four-fermion operator of NRQED applied to the electron-proton and to the muon-proton sectors. Their difference can be reliably computed using chiral perturbation theory, whereas the Wilson coefficient of the electron-proton sector can be determined from the hyperfine splitting in hydrogen. This allows us to give a precise model-independent determination of the Wilson coefficient for the muon-proton sector, and consequently of the two-photon exchange contribution to the hyperfine splitting in muonic hydrogen, which reads δĒ{sub pμ,HF}{sup TPE}(nS)=−(1/(n{sup 3}))1.161(20) meV. Together with the associated QED analysis, we obtain a prediction for the hyperfine splitting in muonic hydrogen that reads E{sub pμ,HF}{sup th}(1S)=182.623(27) meV and E{sub pμ,HF}{sup th}(2S)=22.8123(33) meV. The error is dominated by the two-photon exchange contribution.

Gauss-Bonnet coupling constant as a free thermodynamical variable and the associated criticality

International Nuclear Information System (INIS)

Xu, Wei; Xu, Hao; Zhao, Liu

2014-01-01

The thermodynamic phase space of Gauss-Bonnet (GB) AdS black holes is extended, taking the inverse of the GB coupling constant as a new thermodynamic pressure P GB . We studied the critical behavior associated with P GB in the extended thermodynamic phase space at fixed cosmological constant and electric charge. The result shows that when the black holes are neutral, the associated critical points can only exist in five dimensional GB-AdS black holes with spherical topology, and the corresponding critical exponents are identical to those for the Van der Waals system. For charged GB-AdS black holes, it is shown that there can be only one critical point in five dimensions (for black holes with either spherical or hyperbolic topologies), which also requires the electric charge to be bounded within some appropriate range; while in d < 5 dimensions, there can be up to two different critical points at the same electric charge, and the phase transition can occur only at temperatures which are not in between the two critical values. (orig.)

Nuclear spin-spin coupling constants of linear carbon chains terminated by coronene molecules: a first principles study

International Nuclear Information System (INIS)

Oliveira, Joao Paulo Cavalcante; Mota, F. de Brito; Rivelino, Roberto

2011-01-01

Full text. Carbon nano wires made of long linear atomic chains have attracted considerable interest due to their potential applications in nano electronics. We report a density-functional-theory study of the nuclear spin-spin coupling constants for nano assemblies made of two coronene molecules bridged by carbon linear chains, considering distinct sizes and spin multiplicities. Also, we examine the effects of two terminal conformations (syn and anti) of the terminal anchor pieces on the magnetic properties of the carbon chains via 13 C NMR calculations. Our results reveal that simplified chemical models such as those based on cumulenes or polyynes are not appropriate to describe the linear chains with sp 2 terminations. For these types of atomic chains, the electronic ground state of the even-numbered chains can be singlet or triplet, whereas the ground state of the odd-numbered chains can be doublet or quartet. We discuss how the 13 C NMR chemical shift absorption is affected by increasing the size and changing the parity of the linear carbon chains. We have found that the J coupling constants between the carbon atoms in the linear chains present a well-defined pattern, in good accordance with our electronic structure calculations. For example, in the -C 4 - units we obtain couplings of 43.8, 114.5, 84.6, 114.5, and 43.8 Hz from one end to the other

ATA and the electron phonon coupling constant in calculating TA of super conducting alloys [Paper No. : V-2

International Nuclear Information System (INIS)

Chatterjee, P.; Chatterjee, S.

1978-01-01

The theoretical formula of McMillan has been very successful in explaining the superconducting transition temperature. In this theory the electron-phonon coupling constant was very difficult to calculate from a purely theoretical stand point until Gyorffy and Gaspari gave a theoretical formulation from the multiple scattering point of view. This theory has been very successful in explaining Tsub(c) of many superconducting elements and compounds. For the disordered solid, such as substitution alloys, this theory fails because of the breakdown of the translational symmetry used in the multiple scattering theory of Gyorffy and Gaspari. This problem can however be solved if we average the Green's function in random phase approximation (ATA). In this work we have reformulated Gyorffy and Gaspari's expression of the electron phonon coupling constant in the random phase approximation. This theory has been utilised to alloys of Nb and Mo with different concentrations. The agreement between theory and experiment appears to be very good. (author)

Measurement of the hyperfine magnetic field on rhodium in chromium

International Nuclear Information System (INIS)

Peretto, P.; Teisseron, G.; Berthier, J.

1978-01-01

Hyperfine magnetic field of rhodium in a chromium matrix is studied. Anisotropy of rhodium 100 is + 0.17. Time dependence of angular correlation is given with a sample containing 145 ppm of rhodium despite the short life [fr

Muons as hyperfine interaction probes in chemistry

Energy Technology Data Exchange (ETDEWEB)

Ghandi, Khashayar, E-mail: kghandi@triumf.ca; MacLean, Amy [Mount Allison University, Department of Chemistry & Biochemistry (Canada)

2015-04-15

Spin polarized positive muons injected in matter serve as magnetic probes for the investigation of physical and chemical properties of free radicals, mechanisms of free radical reactions and their formations, and radiation effects. All muon techniques rely on the evolution of spin polarization (of the muon) and in that respect are similar to conventional magnetic resonance techniques. The applications of the muon as a hyperfine probe in several fields in chemistry are described.

Muons as hyperfine interaction probes in chemistry

International Nuclear Information System (INIS)

Ghandi, Khashayar; MacLean, Amy

2015-01-01

Spin polarized positive muons injected in matter serve as magnetic probes for the investigation of physical and chemical properties of free radicals, mechanisms of free radical reactions and their formations, and radiation effects. All muon techniques rely on the evolution of spin polarization (of the muon) and in that respect are similar to conventional magnetic resonance techniques. The applications of the muon as a hyperfine probe in several fields in chemistry are described

Calculation of exchange coupling constants in triply-bridged dinuclear Cu(II) compounds based on spin-flip constricted variational density functional theory.

Science.gov (United States)

Seidu, Issaka; Zhekova, Hristina R; Seth, Michael; Ziegler, Tom

2012-03-08

The performance of the second-order spin-flip constricted variational density functional theory (SF-CV(2)-DFT) for the calculation of the exchange coupling constant (J) is assessed by application to a series of triply bridged Cu(II) dinuclear complexes. A comparison of the J values based on SF-CV(2)-DFT with those obtained by the broken symmetry (BS) DFT method and experiment is provided. It is demonstrated that our methodology constitutes a viable alternative to the BS-DFT method. The strong dependence of the calculated exchange coupling constants on the applied functionals is demonstrated. Both SF-CV(2)-DFT and BS-DFT affords the best agreement with experiment for hybrid functionals.

Towards isotope shift and hyperfine structure measurements of the element nobelium

Energy Technology Data Exchange (ETDEWEB)

Chhetri, Premaditya; Lautenschlaeger, Felix; Walther, Thomas [Institut fuer Angewandte Physik, TU Darmstadt, D-64289 Darmstadt (Germany); Laatiaoui, Mustapha [Helmholtz Institut Mainz, D-55099 Mainz (Germany); Block, Michael; Hessberger, Fritz-Peter [Helmholtz Institut Mainz, D-55099 Mainz (Germany); GSI, D-64291 Darmstadt (Germany); Lauth, Werner; Backe, Hartmut [Institut fuer Kernphysik, JGU Mainz, D-55122 Mainz (Germany); Kunz, Peter [TRIUMF, D-V6T2A3 Vancouver (Canada)

2014-07-01

Laser spectroscopy on the heaviest elements is of great interest as it allows the study of the evolution of relativistic effects on their atomic structure. In our experiment we exploit the Radiation Detected Resonance Ionization Spectroscopy technique and use excimer-laser pumped dye lasers to search for the first time the {sup 1}P{sub 1} level in {sup 254}No. Etalons will be used in the forthcoming experiments at GSI, Darmstadt, to narrow down the bandwidth of the dye lasers to 0.04 cm{sup -1}, for the determination of the isotope shift and hyperfine splitting of {sup 253,} {sup 255}No. In this talk results from preparatory hyperfine structure studies in nat. ytterbium and the perspectives for future experiments of the heaviest elements are discussed.

Measurement of the hyperfine structure of antihydrogen in a beam

Energy Technology Data Exchange (ETDEWEB)

Widmann, E., E-mail: ew@antihydrogen.at; Diermaier, M. [Austrian Academy of Sciences, Stefan Meyer Institute for Subatomic Physics (Austria); Juhasz, B. [Lufthansa Systems Hungaria Kft. (Hungary); Malbrunot, C.; Massiczek, O.; Sauerzopf, C.; Suzuki, K.; Wuenschek, B.; Zmeskal, J. [Austrian Academy of Sciences, Stefan Meyer Institute for Subatomic Physics (Austria); Federmann, S. [CERN (Switzerland); Kuroda, N. [University of Tokyo, Institute of Physics (Japan); Ulmer, S.; Yamazaki, Y. [RIKEN Advanced Science Institute (Japan)

2013-03-15

A measurement of the hyperfine structure of antihydrogen promises one of the best tests of CPT symmetry. We describe an experiment planned at the Antiproton Decelerator of CERN to measure this quantity in a beam of slow antihydrogen atoms.

Laboratory spectrum of the PS radical and related astronomical search

International Nuclear Information System (INIS)

Ohishi, M.; Yamamoto, S.; Saito, S.; Kawaguchi, K.; Suzuki, H.

1988-01-01

The millimeter-wave rotational spectrum of the PS radical (X 2Pi r) was observed in the laboratory for the first time in the frequency region of 79-293 GHz by discharging the mixture of PSCl3 and He. Some 44 lines were measured, and the rotational constant, the centrifugal distortion constant, the centrifugal distortion term of the spin-orbit coupling constant, the Lambda-type doubling constants, and the hyperfine coupling constants were determined. Based on the measured and calculated frequencies, an astronomical search for the interstellar and circumstellar PS radical was made without success in Orion KL, Sgr B2, L134N,IRC + 10216, VY CMa, and OH 231.8 + 4.2. 29 references

Hyperfine field distribution of Fe83B17 glassy metal

International Nuclear Information System (INIS)

Miglierini, M.; Sitek, J.

1990-01-01

Convolutions of Gaussian and Lorentzian lines are proposed to fit the Moessbauer spectrum of Fe 83 B 17 metallic glass. The hyperfine field distribution is constructed from three Gaussian lines corresponding to the individual line pairs. (author). 1 fig., 7 refs

Measurement of a heavy-hole hyperfine interaction in InGaAs quantum dots using resonance fluorescence.

Science.gov (United States)

Fallahi, P; Yilmaz, S T; Imamoğlu, A

2010-12-17

We measure the strength and the sign of hyperfine interaction of a heavy hole with nuclear spins in single self-assembled quantum dots. Our experiments utilize the locking of a quantum dot resonance to an incident laser frequency to generate nuclear spin polarization. By monitoring the resulting Overhauser shift of optical transitions that are split either by electron or exciton Zeeman energy with respect to the locked transition using resonance fluorescence, we find that the ratio of the heavy-hole and electron hyperfine interactions is -0.09 ± 0.02 in three quantum dots. Since hyperfine interactions constitute the principal decoherence source for spin qubits, we expect our results to be important for efforts aimed at using heavy-hole spins in quantum information processing.

Measurement of the hyperfine structure of the 4d2D3/2,5/2 levels and isotope shifts of the 4p2P3/2->4d2D3/2 and 4p2P3/2->4d2D5/2 transitions in gallium 69 and 71

International Nuclear Information System (INIS)

Rehse, Steven J.; Fairbank, William M.; Lee, Siu Au

2001-01-01

The hyperfine structure of the 4d 2 D 3/2,5/2 levels of 69,71 Ga is determined. The 4p 2 P 3/2 ->4d 2 D 3/2 (294.50-nm) and 4p 2 P 3/2 ->4d 2 D 5/2 (294.45-nm) transitions are studied by laser-induced fluorescence in an atomic Ga beam. The hyperfine A constant measured for the 4d 2 D 5/2 level is 77.3±0.9 MHz for 69 Ga and 97.9± 0.7 MHz for 71 Ga (3σ errors). The A constant measured for the 4d 2 D 3/2 level is -36.3±2.2 MHz for 69 Ga and -46.2±3.8 MHz for 71 Ga. These measurements correct sign errors in the previous determination of these constants. For 69 Ga the hyperfine B constants measured for the 4d 2 D 5/2 and the 4d 2 D 3/2 levels are 5.3±4.1 MHz and 4.6±4.2 MHz, respectively. The isotope shift is determined to be 114±8 MHz for the 4p 2 P 3/2 ->4d 2 D 3/2 transition and 115±7 MHz for the 4p 2 P 3/2 ->4d 2 D 5/2 transition. The lines of 71 Ga are shifted to the blue. This is in agreement with previous measurement. [copyright] 2001 Optical Society of America

Hyperfine structure in 229gTh3+ as a probe of the 229gTh→ 229mTh nuclear excitation energy.

Science.gov (United States)

Beloy, K

2014-02-14

We identify a potential means to extract the 229gTh→ 229mTh nuclear excitation energy from precision microwave spectroscopy of the 5F(5/2,7/2) hyperfine manifolds in the ion 229gTh3+. The hyperfine interaction mixes this ground fine structure doublet with states of the nuclear isomer, introducing small but observable shifts to the hyperfine sublevels. We demonstrate how accurate atomic structure calculations may be combined with the measurement of the hyperfine intervals to quantify the effects of this mixing. Further knowledge of the magnetic dipole decay rate of the isomer, as recently reported, allows an indirect determination of the nuclear excitation energy.

Moessbauer investigation of magnetic hyperfine fields near bivalent Eu compounds under high pressure

International Nuclear Information System (INIS)

Abd Elmeguid, M.

1979-01-01

The paper deals with the pressure or volume dependence of hyperfine interactions of magnetically ordered, bivalent europium compounds. Emphasis is laid on the investigation of the pressure or volume dependence of magnetic hyperfine fields as they are found at the nuclear site of 151 Eu or of diamagnetic 119 Sn or 197 Au probe atoms. The measurements were carried out with the aid of the gamma resonance of 151 Eu (21.6 keV) 119 Sn (23.8 keV) and 167 Au (77.4 keV) at low temperatures and external pressures up to 65 kbar. (orig./WBU) [de

Moessbauer study of supertransferred hyperfine field of /sup 119/Sn (Sn/sup 4 +/) in Casub(1-x)Srsub(x)MnO/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Takano, M [Konan Univ., Kobe (Japan). Faculty of Science; Takeda, Y; Shimada, M; Matsuzawa, T; Shinjo, T

1975-09-01

Casub(1-x)Srsub(x)Mnsub(0.99)Snsub(0.01)O/sub 3/(0<=x<=1) with (nearly) cubic perovskite structures were prepared and the magnetic hyperfine fields of /sup 119/Sn (Sn/sup 4 +/) were measured by the Moessbauer effect. The hyperfine fields arise from unpaired s electron spin densities transferred from Mn/sup 4 +/ ions (supertransferred hyperfine interaction). The hyperfine field for a tin ion was found to depend linearly upon the numbers of Ca/sup 2 +/ and Sr/sup 2 +/ ions in the neighboring divalent cation sites, with proportional coefficients having opposite signs. To explain experimental results two kinds of spin transfer processes contributing to the hyperfine field oppositely to each other have been considered, and spin transfer via a divalent cation is emphasized particularly. The hyperfine field at 0 K for Sn/sup 4 +/ in CaMnO/sub 3/ is -75 kOe, while +20 kOe for Sn/sup 4 +/ in SrMnO/sub 3/.

Measurement of 2J(H,C)- and 3J(H,C)-coupling constants by α/β selective HC(C)H-TOCSY

International Nuclear Information System (INIS)

Duchardt, Elke; Richter, Christian; Reif, Bernd; Glaser, Steffen J.; Engels, Joachim W.; Griesinger, Christian; Schwalbe, Harald

2001-01-01

A new heteronuclear NMR pulse sequence for the measurement of n J(C,H) coupling constants, the α/βselective HC(C)H-TOCSY, is described. It is shown that the S 3 E element (Meissner et al., 1997a,b) can be used to obtain spin state selective coherence transfer in molecules, in which adjacent CH moieties are labeled with 13 C. Application of the α/β selective HC(C)H-TOCSY to a 10nt RNA tetraloop 5'-CGCUUUUGCG-3', in which the four uridine residues are 13 C labeled in the sugar moiety, allowed measurement of two bond and three bond J(C,H) coupling constants, which provide additional restraints to characterize the sugar ring conformation of RNA in cases of conformational averaging

Orbital classical solutions, non-perturbative phenomena and singularity at the zero coupling constant point

International Nuclear Information System (INIS)

Vourdas, A.

1982-01-01

We try to extend previous arguments on orbital classical solutions in non-relativistic quantum mechanics to the 1/4lambda vertical stroke phi vertical stroke 4 complex relativistic field theory. The single valuedness of the Green function in the semiclassical (Planksche Konstante → 0) limit leads to a Bohr-Sommerfeld quantization. A path integral formalism for the Green functions analogous to that in non-relativistic quantum mechanics is employed and a semiclassical approach which uses our classical solutions indicates non-perturbative effects. They reflect an esub(1/lambda) singularity at the zero coupling constant point. (orig.)

Determination of hyperfine-induced transition rates from observations of a planetary nebula.

Science.gov (United States)

Brage, Tomas; Judge, Philip G; Proffitt, Charles R

2002-12-31

Observations of the planetary nebula NGC3918 made with the STIS instrument on the Hubble Space Telescope reveal the first unambiguous detection of a hyperfine-induced transition 2s2p 3P(o)(0)-->2s2 1S0 in the berylliumlike emission line spectrum of N IV at 1487.89 A. A nebular model allows us to confirm a transition rate of 4x10(-4) sec(-1)+/-33% for this line. The measurement represents the first independent confirmation of the transition rate of hyperfine-induced lines in low ionization stages, and it provides support for the techniques used to compute these transitions for the determination of very low densities and isotope ratios.

Studies of hyperfine magnetic fields in transition metals by radioactive ion implantation

International Nuclear Information System (INIS)

Kawase, Yoichi; Uehara, Shin-ichi; Nasu, Saburo; Ni Xinbo.

1994-01-01

In order to investigate hyperfine magnetic fields in transition metals by a time-differential perturbed angular correlation (TDPAC) technique, radioactive probes of 140 Cs obtained by KUR-ISOL have been implanted on transition metals of Fe, Ni and Co. Lamor precessions of 140 Ce used as a probe nucleus have been observed clearly and the hyperfine fields have been determined precisely corresponding to implanted sites in host metal. The irradiation effects caused by implantation have been examined by annealing the irradiated specimen at about 723 K. Some of the Lamor precessions have disappeared by the annealing. Discussions have been made on the occupied sites after implantation and the recovery process of induced damages by annealing. (author)

ESR imaging investigations of two-phase systems.

Science.gov (United States)

Herrmann, Werner; Stösser, Reinhard; Borchert, Hans-Hubert

2007-06-01

The possibilities of electron spin resonance (ESR) and electron spin resonance imaging (ESRI) for investigating the properties of the spin probes TEMPO and TEMPOL in two-phase systems have been examined in the systems water/n-octanol, Miglyol/Miglyol, and Precirol/Miglyol. Phases and regions of the phase boundary could be mapped successfully by means of the isotropic hyperfine coupling constants, and, moreover, the quantification of rotational and lateral diffusion of the spin probes was possible. For the quantitative treatment of the micropolarity, a simplified empirical model was established on the basis of the Nernst distribution and the experimentally determined isotropic hyperfine coupling constants. The model does not only describe the summarized micropolarities of coexisting phases, but also the region of the phase boundary, where solvent molecules of different polarities and tendencies to form hydrogen bonds compete to interact with the NO group of the spin probe. Copyright 2007 John Wiley & Sons, Ltd.

Radiative muon capture and renormalization of the induced pseudoscalar coupling constant in nuclei

International Nuclear Information System (INIS)

Hasinoff, M.D.; Armstrong, D.S.; Azuelos, G.

1992-08-01

Radiative Muon Capture (RMC), μ - Z → ν μ (Z - 1)γ, is a weak semi-leptonic process which is particularly sensitive to the induced pseudoscalar coupling constant, g p , of the weak hadronic current. After a brief introduction and review of the general theoretical background relevant to RMC, the most recent data from TRIUMF and PSI are presented and compared to the latest theoretical calculations. The extracted g p values are compared to the PCAC prediction for RMC on a free proton to determine whether or not there is any significant renormalization of g p inside the nuclear medium. A progress report on the TRIUMF RMC experiment on hydrogen is also presented. refs., 12 figs., 3 tabs

Split and Compensated Hyperfine Fields in Magnetic Metal Clusters

International Nuclear Information System (INIS)

Nakamura, H.; Chudo, H.; Shiga, M.; Kohara, T.

2004-01-01

As prominent characteristics of magnetic metal cluster found in vanadium sulfides, we point out marked separation and compensation of the hyperfine field at the nuclear site; these are in somewhat discordance with the common sense for 3d transition-metal magnets, where the on-site isotropic field, scaling the ordered moment magnitude, is dominant.

Inverse Scattering, the Coupling Constant Spectrum, and the Riemann Hypothesis

International Nuclear Information System (INIS)

Khuri, N. N.

2002-01-01

It is well known that the s-wave Jost function for a potential, λV, is an entire function of λ with an infinite number of zeros extending to infinity. For a repulsive V, and at zero energy, these zeros of the 'coupling constant', λ, will all be real and negative, λ n (0) n n =1/2+iγ n . Thus, finding a repulsive V whose coupling constant spectrum coincides with the Riemann zeros will establish the Riemann hypothesis, but this will be a very difficult and unguided search.In this paper we make a significant enlargement of the class of potentials needed for a generalization of the above idea. We also make this new class amenable to construction via inverse scattering methods. We show that all one needs is a one parameter class of potentials, U(s;x), which are analytic in the strip, 0≤Res≤1, Ims>T 0 , and in addition have an asymptotic expansion in powers of [s(s-1)] -1 , i.e. U(s;x)=V 0 (x)+gV 1 (x)+g 2 V 2 (x)+...+O(g N ), with g=[s(s-1)] -1 . The potentials V n (x) are real and summable. Under suitable conditions on the V n 's and the O(g N ) term we show that the condition, ∫ 0 ∞ vertical bar f 0 (x) vertical bar 2 V 1 (x) dx≠0, where f 0 is the zero energy and g=0 Jost function for U, is sufficient to guarantee that the zeros g n are real and, hence, s n =1/2+iγ n , for γ n ≥T 0 .Starting with a judiciously chosen Jost function, M(s,k), which is constructed such that M(s,0) is Riemann's ξ(s) function, we have used inverse scattering methods to actually construct a U(s;x) with the above properties. By necessity, we had to generalize inverse methods to deal with complex potentials and a nonunitary S-matrix. This we have done at least for the special cases under consideration.For our specific example, ∫ 0 ∞ vertical bar f 0 (x) vertical bar 2 V 1 (x) dx=0 and, hence, we get no restriction on Img n or Res n . The reasons for the vanishing of the above integral are given, and they give us hints on what one needs to proceed further. The problem

Excited-level lifetimes and hyperfine-structure measurements on ions using collinear laser--ion-beam spectroscopy

International Nuclear Information System (INIS)

Jin, J.; Church, D.A.

1994-01-01

The mean lifetimes τ of the Ca II 4p 2 P 1/2 and 4p 2 P 3/2 levels, and the 35 Cl II 4p' 1 F 3 level, have been measured by a variant of the collinear laser--ion-beam lifetime technique applied previously to the Ar II 4p' 2 F 7/2 o level [Jian Jin and D. A. Church, Phys. Rev. A 47, 132 (1993)]. The present results are τ(Ca II, 4p 2 P 1/2 )=7.098(0.020) ns, τ(Ca II, 4p 2 P 3/2 )=6.924(0.019) ns, and τ(Cl II, 4p' 1 F 3 ) =11.17(0.06) ns. The experimental lifetimes of these, plus the Ar II 4p' 2 F 7/2 level, are compared with available recent many-electron calculations. Typically 1%--3% differences between measurement and ab initio theory are found, while certain semiempirical calculations are in better agreement with experiment. Data for other precise lifetime measurements on alkali-metal systems are compared with recent ab initio and semiempirical calculations to provide perspective on the Ca II results. The hyperfine structure of the 35 Cl II 3d' 1 G 4 --4p' 1 F 3 transition was also measured and analyzed in the course of the measurements, with the resulting hyperfine-structure constants: A( 1 F 3 )=301.9(0.5) MHz, B( 1 F 3 )=-6.7(0.8) MHz, A( 1 G 4 )=205.1(0.5) MHz, and B( 1 G 4 )=-3.9(2.4) MHz

The determination of the weak neutral current coupling constants and limits on the electromagnetic properties of the muon neutrino

International Nuclear Information System (INIS)

Callas, J.L.

1987-05-01

The goal of this thesis is to determine experimentally the cross section for nu/sub μ/e → nu/sub μ/e scattering from a sample of over 100 expected nu/sub μ/e → nu/sub μ/e events collected by the E734 neutrino detector in BNL wide band neutrino beam. By combining these results with results from an anti-neutrino determination of the cross section for anti nu/sub μ/e → anti nu/sub μ/e scattering in the form of a ratio of cross sections, the weak coupling constants for the electron, g/sub V/ and g/sub A/ can be determined in a model independent way to within a four fold ambiguity where three of the ambiguities can be eliminated by results from e + e - experiments. The predictions of the Standard Model for the weak coupling constants can then be tested and a precise determination of the electroweak mixing parameter, sin 2 θ/sub W/ can be made

Analyzing quantum jumps of one and two atoms strongly coupled to an optical cavity

DEFF Research Database (Denmark)

Reick, Sebastian; Mølmer, Klaus; Alt, Wolfgang

2010-01-01

We induce quantum jumps between the hyperfine ground states of one and two cesium atoms, strongly coupled to the mode of a high-finesse optical resonator, and analyze the resulting random telegraph signals. We identify experimental parameters to deduce the atomic spin state nondestructively from ...

Communication: General variational approach to nuclear-quadrupole coupling in rovibrational spectra of polyatomic molecules

Science.gov (United States)

Yachmenev, Andrey; Küpper, Jochen

2017-10-01

A general algorithm for computing the quadrupole-hyperfine effects in the rovibrational spectra of polyatomic molecules is presented for the case of ammonia (NH3). The method extends the general variational approach TROVE [J. Mol. Spectrosc. 245, 126-140 (2007)] by adding the extra term in the Hamiltonian that describes the nuclear quadrupole coupling, with no inherent limitation on the number of quadrupolar nuclei in a molecule. We applied the new approach to compute the nitrogen-nuclear-quadrupole hyperfine structure in the rovibrational spectrum of NH143. These results agree very well with recent experimental spectroscopic data for the pure rotational transitions in the ground vibrational and ν2 states and the rovibrational transitions in the ν1, ν3, 2ν4, and ν1 + ν3 bands. The computed hyperfine-resolved rovibrational spectrum of ammonia will be beneficial for the assignment of experimental rovibrational spectra, further detection of ammonia in interstellar space, and studies of the proton-to-electron mass variation.

Isotope effects in interstellar molecules by chemical hyperfine interaction

International Nuclear Information System (INIS)

Haberkorn, R.; Michel-Beyerle, M.E.

1977-01-01

If free radicals recombine on grain surfaces, not only the different masses of isotopes but also their differing nuclear spin moments (e.g. 12 C/ 13 C, 14 N/ 15 N, 17 O/ 18 O) may imply variations in the recombination probability due to hyperfine interaction. This mechanism has not been accounted for so far. (orig.) [de

Pure nuclear reflexes and combined hyperfine interactions in YIG

Energy Technology Data Exchange (ETDEWEB)

Winkler, H; Eisberg, R; Alp, E; Rueffer, R; Gerdau, E; Lauer, S; Trautwein, A X; Grodzicki, M; Vera, A

1983-01-01

Moessbauer spectra of oriented YIG single crystals were taken and the numerical analysis using the transmission integral yielded a consistent set of hyperfine interaction parameters. They are in good agreement with theoretical values obtained by MO-calculations which included clusters up to 62 ions. Finally pure nuclear reflexes are predicted for single crystals and two theoretical spectra are given.

On the calculation of {sup 3}J{sub {alpha}{beta}}-coupling constants for side chains in proteins

Energy Technology Data Exchange (ETDEWEB)

Steiner, Denise [Swiss Federal Institute of Technology, Laboratory of Physical Chemistry, ETH (Switzerland); Allison, Jane R. [Massey University Albany, Centre for Theoretical Chemistry and Physics, Institute for Natural Sciences (New Zealand); Eichenberger, Andreas P.; Gunsteren, Wilfred F. van, E-mail: wfvgn@igc.phys.chem.ethz.ch [Swiss Federal Institute of Technology, Laboratory of Physical Chemistry, ETH (Switzerland)

2012-07-15

Structural knowledge about proteins is mainly derived from values of observables, measurable in NMR spectroscopic or X-ray diffraction experiments, i.e. absorbed or scattered intensities, through theoretically derived relationships between structural quantities such as atom positions or torsional angles on the one hand and observable quantities such as squared structure factor amplitudes, NOE intensities or {sup 3}J-coupling constants on the other. The standardly used relation connecting {sup 3}J-couplings to torsional angles is the Karplus relation, which is used in protein structure refinement as well as in the evaluation of simulated properties of proteins. The accuracy of the simple and generalised Karplus relations is investigated using side-chain structural and {sup 3}J{sub {alpha}{beta}}-coupling data for three different proteins, Plastocyanin, Lysozyme, and FKBP, for which such data are available. The results show that the widely used Karplus relations are only a rough estimate for the relation between {sup 3}J{sub {alpha}{beta}}-couplings and the corresponding {chi}{sub 1}-angle in proteins.

The pure rotational spectra of the open-shell diatomic molecules PbI and SnI

Energy Technology Data Exchange (ETDEWEB)

Evans, Corey J., E-mail: cje8@le.ac.uk, E-mail: nick.walker@newcastle.ac.uk; Needham, Lisa-Maria E. [Department of Chemistry, University of Leicester, Leicester LE1 7RH (United Kingdom); Walker, Nicholas R., E-mail: cje8@le.ac.uk, E-mail: nick.walker@newcastle.ac.uk; Köckert, Hansjochen; Zaleski, Daniel P.; Stephens, Susanna L. [School of Chemistry, Newcastle University, Newcastle upon Tyne NE1 7RU (United Kingdom)

2015-12-28

Pure rotational spectra of the ground electronic states of lead monoiodide and tin monoiodide have been measured using a chirped pulsed Fourier transform microwave spectrometer over the 7-18.5 GHz region for the first time. Each of PbI and SnI has a X {sup 2}Π{sub 1/2} ground electronic state and may have a hyperfine structure that aids the determination of the electron electric dipole moment. For each species, pure rotational transitions of a number of different isotopologues and their excited vibrational states have been assigned and fitted. A multi-isotopologue Dunham-type analysis was carried out on both species producing values for Y{sub 01}, Y{sub 02}, Y{sub 11}, and Y{sub 21}, along with Λ-doubling constants, magnetic hyperfine constants and nuclear quadrupole coupling constants. The Born-Oppenheimer breakdown parameters for Pb have been evaluated and the parameter rationalized in terms of finite nuclear field effects. Analysis of the bond lengths and hyperfine interaction indicates that the bonding in both PbI and SnI is ionic in nature. Equilibrium bond lengths have been evaluated for both species.

On the Convergence of the ccJ-pVXZ and pcJ-n Basis Sets in CCSD Calculations of Nuclear Spin-Spin Coupling Constants

DEFF Research Database (Denmark)

Faber, Rasmus; Sauer, Stephan P. A.

2018-01-01

The basis set convergence of nuclear spin-spin coupling constants (SSCC) calculated at the coupled cluster singles and doubles (CCSD) level has been investigated for ten difficult molecules. Eight of the molecules contain fluorine atoms and nine contain double or triple bonds. Results obtained...

Electron-muon puzzle and the electromagnetic coupling constant

International Nuclear Information System (INIS)

Jehle, H.

1977-01-01

On the basis of a heuristic model we argued in an earlier paper (paper C of this series) electric field (and of course the magnetic field, too) of a lepton or of a quark may be formulated in terms of a closed loop of quantized magnetic flux whose alternative forms (''loopforms'') are superposed with probability amplitudes so as to represent the electromagnetic field of that lepton or quark. The Zitterbewegung of a single stationary (''elementary'') particle suggests a kind of quasiextension, which is assumed, in the present theory, to permit concepts of structuralization of the electromagnetic field even for leptons. Mesons and baryons may be represented by linked quantized flux loops, i.e., quark loops (as in paper B). The central problem now (in this paper D) is to formulate those probability-amplitude distributions in terms of wave functions to characterize the internal structure of the lepton or quark in question. As probability-amplitude functions one may choose bases of irreducible representations of the group with respect to which the model is to be invariant. It is seen that this implies the SO(4) group. As both the electron-muon mass ratio and the electromagnetic coupling constant depend, in this flux-quantization model, on the correct formulation of the structuralization of probability-amplitude distributions, we should expect to get an insight into both these puzzles from finding the right probability-amplitude wave functions. Furthermore, it is seen that this same structuralization of probability-amplitude distributions also permits one to estimate the rate of weak interactions, thus relating them to electromagnetic interactions

Derivation of the electric dipole--dipole interaction as an electric hyperfine interaction

International Nuclear Information System (INIS)

Parker, G.W.

1986-01-01

The electric dipole--dipole interaction is derived by assuming that the electron and proton in hydrogen have intrinsic electric dipole moments that interact to give an electric hyperfine interaction. The electric field at the proton due to the electron's presumed dipole moment then gives rise to a contact type term for l = 0 and the normal dipole--dipole term for lnot =0. When combined with our previous derivation of the magnetic hyperfine interaction [Am. J. Phys. 52, 36 (1984)], which used a similar approach, these derivations provide a unified treatment of the interaction of electric and magnetic dipoles. As an application of these results, the product of the electron's and proton's dipole moments is estimated to be less than 10 -29 e 2 cm 2

Vicinal 1H-1H NMR coupling constants from density functional theory as reliable tools for stereochemical analysis of highly flexible multichiral center molecules.

Science.gov (United States)

López-Vallejo, Fabian; Fragoso-Serrano, Mabel; Suárez-Ortiz, Gloria Alejandra; Hernández-Rojas, Adriana C; Cerda-García-Rojas, Carlos M; Pereda-Miranda, Rogelio

2011-08-05

A protocol for stereochemical analysis, based on the systematic comparison between theoretical and experimental vicinal (1)H-(1)H NMR coupling constants, was developed and applied to a series of flexible compounds (1-8) derived from the 6-heptenyl-5,6-dihydro-2H-pyran-2-one framework. The method included a broad conformational search, followed by geometry optimization at the DFT B3LYP/DGDZVP level, calculation of the vibrational frequencies, thermochemical parameters, magnetic shielding tensors, and the total NMR spin-spin coupling constants. Three scaling factors, depending on the carbon atom hybridizations, were found for the (1)H-C-C-(1)H vicinal coupling constants: f((sp3)-(sp3)) = 0.910, f((sp3)-(sp2)) = 0.929, and f((sp2)-(sp2))= 0.977. A remarkable correlation between the theoretical (J(pre)) and experimental (1)H-(1)H NMR (J(exp)) coupling constants for spicigerolide (1), a cytotoxic natural product, and some of its synthetic stereoisomers (2-4) demonstrated the predictive value of this approach for the stereochemical assignment of highly flexible compounds containing multiple chiral centers. The stereochemistry of two natural 6-heptenyl-5,6-dihydro-2H-pyran-2-ones (14 and 15) containing diverse functional groups in the heptenyl side chain was also analyzed by application of this combined theoretical and experimental approach, confirming its reliability. Additionally, a geometrical analysis for the conformations of 1-8 revealed that weak hydrogen bonds substantially guide the conformational behavior of the tetraacyloxy-6-heptenyl-2H-pyran-2-ones.

Mixing of the lowest-lying qqq configurations with JP =1/2- in different hyperfine interaction models

Science.gov (United States)

Chen, Jia; An, Chunsheng; Chen, Hong

2018-02-01

We investigate mixing of the lowest-lying qqq configurations with JP = 1/2- caused by the hyperfine interactions between quarks mediated by Goldstone Boson Exchange, One Gluon Exchange, and both Goldstone Boson and One Gluon exchange, respectively. The first orbitally excited nucleon, Σ, Λ and Ξ states are considered. Contributions of both the contact term and tensor term are taken into account. Our numerical results show that mixing of the studied configurations in the two employed hyperfine interaction models are very different. Therefore, the present results, which should affect the strong and electromagnetic decays of baryon resonances, may be used to examine the present employed hyperfine interaction models. Supported by National Natural Science Foundation of China (11675131,11645002), Chongqing Natural Science Foundation (cstc2015jcyjA00032) and Fundamental Research Funds for the Central Universities (SWU115020)

Hyperfine electric parameters calculation in Si samples implanted with {sup 57}Mn→{sup 57}Fe

Energy Technology Data Exchange (ETDEWEB)

Abreu, Y., E-mail: yabreu@ceaden.edu.cu [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear (CEADEN), Calle 30 No. 502 e/5ta y 7ma Ave., 11300 Miramar, Playa, La Habana (Cuba); Cruz, C.M.; Piñera, I.; Leyva, A.; Cabal, A.E. [Centro de Aplicaciones Tecnológicas y Desarrollo Nuclear (CEADEN), Calle 30 No. 502 e/5ta y 7ma Ave., 11300 Miramar, Playa, La Habana (Cuba); Van Espen, P. [Departement Chemie, Universiteit Antwerpen, Middelheimcampus, G.V.130, Groenenborgerlaan 171, 2020 Antwerpen (Belgium); Van Remortel, N. [Departement Fysica, Universiteit Antwerpen, Middelheimcampus, G.U.236, Groenenborgerlaan 171, 2020 Antwerpen (Belgium)

2014-07-15

Nowadays the electronic structure calculations allow the study of complex systems determining the hyperfine parameters measured at a probe atom, including the presence of crystalline defects. The hyperfine electric parameters have been measured by Mössbauer spectroscopy in silicon materials implanted with {sup 57}Mn→{sup 57}Fe ions, observing four main contributions to the spectra. Nevertheless, some ambiguities still remain in the {sup 57}Fe Mössbauer spectra interpretation in this case, regarding the damage configurations and its evolution with annealing. In the present work several implantation environments are evaluated and the {sup 57}Fe hyperfine parameters are calculated. The observed correlation among the studied local environments and the experimental observations is presented, and a tentative microscopic description of the behavior and thermal evolution of the characteristic defects local environments of the probe atoms concerning the location of vacancies and interstitial Si in the neighborhood of {sup 57}Fe ions in substitutional and interstitial sites is proposed.

Hyperfine fields and spin relaxation of Ce in GdAl2 and DyAl2

International Nuclear Information System (INIS)

Waeckelgaard, E.; Karlsson, E.; Lindgren, B.; Mayer, A.

1987-04-01

We have investigated the ferromagnetic state of the cubic intermetallic compounds GdAl 2 and DyAl 2 with the 140 Ce nuclei using DPAC. The local fields of Ce are for the lowest measured temperatures B eff (30 K) = 54(2) T for GdAl 2 and B eff (12.5 K) = 27(1) T for DyAl 2 which are considerably lower than the hyperfine field measured for a free Ce ion (183 T). By introducing a crystal field, of cubic symmetry, a lower hyperfine field is obtained which is in quantitative agreement with the local field of Ce in GdAl 2 . For DyAl 2 an additional effect, represented by a non-magnetic level below the lowest magnetic level, may explain a further reduction of the hyperfine field. Two models relating to a Kondo non-magnetic state of Ce are discussed. Spin relaxation in the paramagnetic state are also studied and compared with observations of the same systems measured with μSR. (authors)

Spin-orbit-coupled Bose-Einstein condensates of rotating polar molecules

Science.gov (United States)

Deng, Y.; You, L.; Yi, S.

2018-05-01

An experimental proposal for realizing spin-orbit (SO) coupling of pseudospin 1 in the ground manifold 1Σ (υ =0 ) of (bosonic) bialkali polar molecules is presented. The three spin components are composed of the ground rotational state and two substates from the first excited rotational level. Using hyperfine resolved Raman processes through two select excited states resonantly coupled by a microwave, an effective coupling between the spin tensor and linear momentum is realized. The properties of Bose-Einstein condensates for such SO-coupled molecules exhibiting dipolar interactions are further explored. In addition to the SO-coupling-induced stripe structures, the singly and doubly quantized vortex phases are found to appear, implicating exciting opportunities for exploring novel quantum physics using SO-coupled rotating polar molecules with dipolar interactions.

Communication: Localized molecular orbital analysis of the effect of electron correlation on the anomalous isotope effect in the NMR spin-spin coupling constant in methane

Energy Technology Data Exchange (ETDEWEB)

Zarycz, M. Natalia C., E-mail: mnzarycz@gmail.com; Provasi, Patricio F., E-mail: patricio@unne.edu.ar [Department of Physics, University of Northeastern - CONICET, Av. Libertad 5500, Corrientes W3404AAS (Argentina); Sauer, Stephan P. A., E-mail: sauer@kiku.dk [Department of Chemistry, University of Copenhagen, Universitetsparken 5, DK-2100 Copenhagen Ø (Denmark)

2014-10-21

We discuss the effect of electron correlation on the unexpected differential sensitivity (UDS) in the {sup 1}J(C–H) coupling constant of CH{sub 4} using a decomposition into contributions from localized molecular orbitals and compare with the {sup 1}J(N–H) coupling constant in NH{sub 3}. In particular, we discuss the well known fact that uncorrelated coupled Hartree-Fock (CHF) calculations are not able to reproduce the UDS in methane. For this purpose we have implemented for the first time a localized molecular orbital analysis for the second order polarization propagator approximation with coupled cluster singles and doubles amplitudes—SOPPA(CCSD) in the DALTON program. Comparing the changes in the localized orbital contributions at the correlated SOPPA and SOPPA(CCSD) levels and at the uncorrelated CHF level, we find that the latter overestimates the effect of stretching the bond between the coupled atoms on the contribution to the coupling from the localized bonding orbital between these atoms. This disturbs the subtle balance between the molecular orbital contributions, which lead to the UDS in methane.

Moessbauer effect study of hyperfine interaction of /sup 161/Dy and /sup 151/Eu in tungsten bronzes Dysub(0. 18) WO/sub 3/ and Eusub(0. 18) WO/sub 3/

Energy Technology Data Exchange (ETDEWEB)

Kisynska, K

1979-01-01

The Moessbauer technique was used to investigate the hyperfine interaction of /sup 161/Dy and /sup 151/Eu in cubic rare earth tungsten bronzes: Dysub(0.18)WO/sub 3/ and Eusub(0.18)WO/sub 3/. Well resolved hfs spectrum was obtained at 4.2 K for Dysub(0.18)WO/sub 3/. The effective hf field approximation sufficed to interpret the spectrum. The obtained hyperfine interaction parameters were: -g/sub 0/..beta..sub(N)Hsub(eff)=(805+-19) Mc/s and e/sup 2/qQ/sub 0//4 = (506+-56) Mc/s. These results imply that ground doublet of Dy/sup +3/ ion in bronze is a Kramers doublet Vertical Bar+-15/2> with asymmetrical hyperfine tensor Asub(z) non equal to 0, Asub(x) = Asub(y) = 0 and that local crystalline field at RE metal in tungsten bronze at 4.2 K cannot be cubic. From ME absorption spectra of Eusub(0.18)WO/sub 3/ taken at 4.2 K, 78 K and 300 K the values of quadrupole interaction constants for bronze lattice and its temperature dependence were obtained. These data indicate that a phase transition from the high temperature ideal perovskite structure to a distorted one occurs in RE bronzes and that the distortion concerns the nearest tungsten-oxygen environment of RE ion.

Determination of the pion-nucleon coupling constant and scattering lengths

International Nuclear Information System (INIS)

Ericson, T.E.O.; Loiseau, B.; Thomas, A.W.

2002-01-01

We critically evaluate the isovector Goldberger-Miyazawa-Oehme (GMO) sum rule for forward πN scattering using the recent precision measurements of π - p and π - d scattering lengths from pionic atoms. We deduce the charged-pion-nucleon coupling constant, with careful attention to systematic and statistical uncertainties. This determination gives, directly from data, g c 2 (GMO)/4π=14.11±0.05(statistical)±0.19(systematic) or f c 2 /4π=0.0783(11). This value is intermediate between that of indirect methods and the direct determination from backward np differential scattering cross sections. We also use the pionic atom data to deduce the coherent symmetric and antisymmetric sums of the pion-proton and pion-neutron scattering lengths with high precision, namely, (a π - p +a π - n )/2=[-12±2(statistical)±8(systematic)]x10 -4 m π -1 and (a π - p -a π - n )/2=[895±3(statistical)±13 (systematic)]x10 -4 m π -1 . For the need of the present analysis, we improve the theoretical description of the pion-deuteron scattering length

Study by magnetic resonance and relaxation of carbon 13 of some paramagnetic coordination complexes

International Nuclear Information System (INIS)

Ronfard-Haret, Jean-Claude

1977-01-01

This research thesis reports the study of coordination complexes by using NMR. After a brief recall of the theoretical background required for the processing of experimental data (hyper-fine coupling and magnetic resonance, spin density distribution, chemical displacement, dipolar, scalar and electronic relaxation), the author describes the conditions in which experiments have been performed and presents measurement methods (pulsed nuclear magnetic resonance, relaxation time measurement, determination of hyper-fine coupling constants, spectrometers and reactants). The next chapters address the study of different coordination complexes: [(pyridine-N-oxide) 2 Ni(acetylacetonate) 2 ], carbon 13 in alkyl-anilines-Ni II, complexation of 1- and 2-aminonaphthalene by transition ions, complexation of pyridine-N-oxide by the nickel Ni ++ ion in presence of water

Bardeen-Cooper-Schrieffer universal constants generalized

International Nuclear Information System (INIS)

Hazaimeh, A.H.

1992-01-01

Weak- and moderate-coupling BCS superconductivity theory is shown to admit a more general T c formula, wherein T c approaches zero somewhat faster than with the familiar BCS T c -formula. This theory leads to a departure from the universal behavior of the gap-to-T c ratio and is consistent with some recent empirical values for exotic superconductors. This ratio is smaller than the universal BCS value of 3.53 in a way which is consistent with weak electron-boson coupling. Similarly, other universal constants related to specific heat and critical magnetic field are modified. In this dissertation, The author investigates the latter constants for weak-coupling and moderate-coupling and carry out detailed comparisons with experimental data for the cuprates and with the corresponding predictions of strong-coupling theory. This effort is to elucidate the nature of these superconductors with regards to coupling strength within an electron-boson mechanism

The BFKL Pomeron with running coupling constant: how much of its hard nature survives?

International Nuclear Information System (INIS)

Haakman, L.P.A.; Kancheli, O.V.; Koch, J.H.

1998-01-01

We discuss the BFKL equation with a running gauge coupling and identify in its solutions the contributions originating from different transverse momentum scales. We show that for a running coupling constant the distribution of the gluons making up the BFKL pomeron shifts to smaller transverse momenta so that the dominant part of pomeron can have a non-perturbative origin. It is demonstrated how this soft physics enters into the BFKL solution through the boundary condition. We consider twokinematical regimes leading to different behaviour of the rapidity andtransverse momentum dependence of the gluon distribution. In the diffusion approximation to the BFKL kernel with running α s , we find a sequence of poles which replaces the cut for fixed α s . The second regime corresponds to the singular part of the kernel, which gives the dominant contribution in the limit of very large transverse momenta. Finally, a simple more general picture is obtained for the QCD pomeron in hard processes: it is of soft, non-perturbative nature, but has hard ends of DGLAP type. (orig.)

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.

Investigation of transferred hyperfine interactions from 129I and 119Sn by Moessbauer spectroscopy

International Nuclear Information System (INIS)

Sanchez, J.-P.

1976-01-01

The hyperfine parameters at 129 I have been measured in the series of compounds CrI 3 , CsCrI 3 , MI 2 (M=V, Cr, Mn, Fe, Co, Ni, Cd) and NR 4 FeI 4 (R=ethyl, butyl). They have been interpreted in terms of the charge and spin densities in the ligand valence orbitals. Information about the spin polarization mechanisms as well as about the local magnetic and crystallographic structural arrangements have been furthermore deduced. The 119 Sn hyperfine data in the series of RESn 3 intermetallics have provided information about the magnetic structure and the spin polarization mechanisms [fr

1H NMR spectra of vertebrate [2Fe-2S] ferredoxins. Hyperfine resonances suggest different electron delocalization patterns from plant ferredoxins

International Nuclear Information System (INIS)

Skjeldal, L.; Markley, J.L.; Coghlan, V.M.; Vickery, L.E.

1991-01-01

The authors report the observation of paramagnetically shifted (hyperfine) proton resonances from vertebrate mitochondrial [2Fe-2S] ferredoxins. The hyperfine signals of human, bovine, and chick [2Fe-2S] ferredoxins are described and compared with those of Anabena 7120 vegetative ferredoxin, a plant-type [2Fe-2S] ferredoxin studied previously. The hyperfine resonances of the three vertebrate ferredoxins were very similar to one another both in the oxidized state and in the reduced state, and slow (on the NMR scale) electron self-exchange was observed in partially reduced samples. For the oxidized vertebrate ferredoxins, hyperfine signals were observed downfield of the diamagnetic envelope from +13 to +50 ppm, and the general pattern of peaks and their anti-Curie temperature dependence are similar to those observed for the oxidized plant-type ferredoxins. For the reduced vertebrate ferredoxins, hyperfine signals were observed for the oxidized plant-type ferredoxins. For the reduced vertebrate ferredoxins, hyperfine signals were observed both upfield (-2 to -18 ppm) and downfield (+15 to +45 ppm), and all were found to exhibit Curie-type temperature dependence. These results indicate that the contact-shifted resonances in the reduced vertebrate ferredoxins detect different spin magnetization from those in the reduced plant ferredoxins and suggest that plant and vertebrate ferredoxins have fundamentally different patterns of electron delocalization in the reduced [2Fe-2S] center

Observation of Hyperfine Transitions in Trapped Ground-State Antihydrogen

CERN Document Server

Olin, Arthur

2015-01-01

This paper discusses the first observation of stimulated magnetic resonance transitions between the hyperfine levels of trapped ground state atomic antihydrogen, confirming its presence in the ALPHA apparatus. Our observations show that these transitions are consistent with the values in hydrogen to within 4~parts~in~$10^3$. Simulations of the trapped antiatoms in a microwave field are consistent with our measurements.

Kinetic models in spin chemistry. 1. The hyperfine interaction

DEFF Research Database (Denmark)

Mojaza, M.; Pedersen, J. B.

2012-01-01

Kinetic models for quantum systems are quite popular due to their simplicity, although they are difficult to justify. We show that the transformation from quantum to kinetic description can be done exactly for the hyperfine interaction of one nuclei with arbitrary spin; more spins are described w...... induced enhancement of the reaction yield. (C) 2012 Elsevier B.V. All rights reserved....

Observation of hyperfine transitions in trapped ground-state antihydrogen

Energy Technology Data Exchange (ETDEWEB)

Collaboration: A. Olin for the ALPHA Collaboration

2015-08-15

This paper discusses the first observation of stimulated magnetic resonance transitions between the hyperfine levels of trapped ground state atomic antihydrogen, confirming its presence in the ALPHA apparatus. Our observations show that these transitions are consistent with the values in hydrogen to within 4 parts in 10{sup 3}. Simulations of the trapped antiatoms in a microwave field are consistent with our measurements.

Hyperfine interactions and electric dipole moments in the [16.0]1.5(v = 6), [16.0]3.5(v = 7), and X2Δ(5/2) states of iridium monosilicide, IrSi.

Science.gov (United States)

Le, Anh; Steimle, Timothy C; Morse, Michael D; Garcia, Maria A; Cheng, Lan; Stanton, John F

2013-12-19

The (6,0)[16.0]1.5-X(2)Δ(5/2) and (7,0)[16.0]3.5-X(2)Δ(5/2) bands of IrSi have been recorded using high-resolution laser-induced fluorescence spectroscopy. The field-free spectra of the (191)IrSi and (193)IrSi isotopologues were modeled to generate a set of fine, magnetic hyperfine, and nuclear quadrupole hyperfine parameters for the X(2)Δ(5/2)(v = 0), [16.0]1.5(v = 6), and [16.0]3.5 (v = 7) states. The observed optical Stark shifts for the (193)IrSi and (191)IrSi isotopologues were analyzed to produce the permanent electric dipole moments, μ(el), of -0.414(6) D and 0.782(6) D for the X(2)Δ(5/2) and [16.0]1.5 (v = 6) states, respectively. Properties of the X(2)Δ(5/2) state computed using relativistic coupled-cluster methods clearly indicate that electron correlation plays an essential role. Specifically, inclusion of correlation changes the sign of the dipole moment and is essential for achieving good accuracy for the nuclear quadrupole coupling parameter eQq0.

Effect of the nitrogen unshared electron pair on the direct /sup 13/C-/sup 13/C spin-spin coupling constant of a neighboring bond in oximes

Energy Technology Data Exchange (ETDEWEB)

Shcherbakov, V.V.; Krivdin, L.B.; Kalabin, G.A.; Trofimov, B.A.

1986-11-20

The authors have previously established that the direct /sup 13/C-/sup 13/C coupling constants are stereospecific relative to the orientation of unshared electron pairs (UEP) of nitrogen and oxygen atoms. Here they show that the nitrogen UEP produces a positive contribution to the direct /sup 13/C-/sup 13/C coupling constant of an adjacent syn-periplanar carbon-carbon bond and not to a negative contribution of the corresponding constant of the anti-periplanar bond. Thus, the observed effect is not a consequence of the interaction of the heteroatom UEP with the anti-bonding orbital of the adjacent anti-periplanar bond (n/sub o-o/* interaction) as in the case of anomeric and related effects.

Magnetic hyperfine field at caesium in iron

International Nuclear Information System (INIS)

Ashworth, C.J.; Back, P.; Stone, N.J.; White, J.P.; Ohya, S.

1990-01-01

We report temperature dependence of nuclear orientation (NO), and the first observation of NMR/ON on Cs in iron. 132,136 Cs were implanted at room temperature into polycrystalline and single crystal iron. NO values for the (average) magnetic hyperfine field B hf (CsFe) are close to 34 T, intermediate between the value of 40.7 T found in on-line samples made at mK temperatures and the NMR/ON value of 27.8(2) T. The latter studies. The site/field distribution is briefly discussed. (orig.)

Hyperfine structure studies with the COMPLIS facility

CERN Document Server

Crawford, J E; Le Blanc, F; Lunney, M D; Obert, J; Oms, J; Putaux, J C; Roussière, B; Sauvage, J; Zemlyanoi, S G; Verney, D; Pinard, J; Cabaret, L A; Duong, H T; Huber, G; Krieg, M; Sebastian, V; Girod, M; Peru, S; Genevey, J; Ibrahim, F; Lettry, Jacques

1998-01-01

COMPLIS is an experimental facility designed to carry out spectroscopic studies on radioisotopes produced by disintegration of elements available at CERN's Booster-ISOLDE on-line isotope separator. During recent series of experimental runs, hyperfine structure measurements have yielded information on nuclear moments and deformations of platinum and iridium isotopes, For the first time, population by alpha -decay from Hg was exploited to investigate /sup 178/-/sup 181/Pt-the most neutron-deficient Pt isotopes yet studied. Successful measurements have recently been carried out on /sup 182-189/Ir. (10 refs).

Axial coupling constant of the nucleon for two flavours of dynamical quarks in finite and infinite volume

International Nuclear Information System (INIS)

Khan, A.A.; Goeckeler, M.; Haegler, P.

2006-03-01

We present data for the axial coupling constant g A of the nucleon obtained in lattice QCD with two degenerate flavours of dynamical non-perturbatively improved Wilson quarks. The renormalisation is also performed non-perturbatively. For the analysis we give a chiral extrapolation formula for g A based on the small scale expansion scheme of chiral effective field theory for two degenerate quark flavours. Applying this formalism in a finite volume we derive a formula that allows us to extrapolate our data simultaneously to the infinite volume and to the chiral limit. Using the additional lattice data in finite volume we are able to determine the axial coupling of the nucleon in the chiral limit without imposing the known value at the physical point. (Orig.)

Axial coupling constant of the nucleon for two flavours of dynamical quarks in finite and infinite volume

Energy Technology Data Exchange (ETDEWEB)

Khan, A.A.; Goeckeler, M. [Regensburg Univ. (Germany). Inst. fuer Theoretische Physik; Haegler, P. [Technische Univ. Muenchen (DE). Physik-Department, Theoretische Physik] (and others)

2006-03-15

We present data for the axial coupling constant g{sub A} of the nucleon obtained in lattice QCD with two degenerate flavours of dynamical non-perturbatively improved Wilson quarks. The renormalisation is also performed non-perturbatively. For the analysis we give a chiral extrapolation formula for g{sub A} based on the small scale expansion scheme of chiral effective field theory for two degenerate quark flavours. Applying this formalism in a finite volume we derive a formula that allows us to extrapolate our data simultaneously to the infinite volume and to the chiral limit. Using the additional lattice data in finite volume we are able to determine the axial coupling of the nucleon in the chiral limit without imposing the known value at the physical point. (Orig.)

Evaluation of the strong coupling constant {alpha}{sub s} using the ATLAS inclusive jet cross-section data

Energy Technology Data Exchange (ETDEWEB)

Malaescu, B. [European Organization for Nuclear Research (CERN), Geneva (Switzerland); Starovoitov, P. [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)

2012-03-15

We perform a determination of the strong coupling constant using the latest ATLAS inclusive jet cross section data, from proton-proton collisions at {radical}(s)=7 TeV, and their full information on the bin-to-bin correlations. Several procedures for combining the statistical information from the different data inputs are studied and compared. The theoretical prediction is obtained using NLO QCD, and it also includes non-perturbative corrections. Our determination uses inputs with transverse momenta between 45 and 600 GeV, the running of the strong coupling being also tested in this range. Good agreement is observed when comparing our result with the world average at the Z-boson scale, as well as with the most recent results from the Tevatron. (orig.)

Muon zero point motion and the hyperfine field in nickel

International Nuclear Information System (INIS)

Elzain, M.E.

1984-09-01

It is argued that the effect of zero point motion of muons in Ni is to induce local vibrations of the neighbouring Ni atoms. This local vibration reduces the Hubbard correlation and hence decreases the net spin per atom. This acts back to reduce the hyperfine field at the muon site. (author)

Hyperfine fields of Fe in Nd2Fe14BandSm2Fe17N3

Science.gov (United States)

Akai, Hisazumi; Ogura, Masako

2015-03-01

High saturation magnetization of rare-earth magnets originates from Fe and the strong magnetic anisotropy stems from f-states of rare-earth elements such as Nd and Sm. Therefore the hyperfine fields of both Fe and rare-earth provide us with important pieces of information: Fe NMR enable us to detect site dependence of the local magnetic moment and magnetic anisotropy (Fe sites also contribute to the magnetic anisotropy) while rare-earth NQR directly give the information of electric field gradients (EFG) that are related to the shape of the f-electron cloud as well as the EFG produced by ligands. In this study we focus on the hyperfine fields of materials used as permanent magnets, Nd2Fe14BandSm2Fe17N3 from theoretical points of view. The detailed electronic structure together with the hyperfine interactions are discussed on the basis of the first-principles calculation. In particular, the relations between the observed hyperfine fields and the magnetic properties are studies in detail. The effects of doping of those materials by other elements such as Dy and the effects of N adding in Sm2Fe17N3 will be discussed. This work was supported by Elements Strategy Initiative Center for Magnetic Materials Project, the Ministry of Education, Culture, Sports, Science and Technology, Japan.

Experimental and theoretical study of the hyperfine structure in the lower configurations in 45Sc II

International Nuclear Information System (INIS)

Villemoes, P.; van Leeuwen, R.; Arnesen, A.; Heijkenskjoeld, F.; Kastberg, A.; Larsson, M.O.; Kotochigova, S.A.

1992-01-01

We have measured the hyperfine structure (hfs) of 12 levels in the configurations 3d4s, 3d 2 , and 3d4p in singly ionized scandium by collinear fast-ion-beam--laser spectroscopy. The hfs of the four levels in the configuration 3d4s has to our knowledge not been measured before. From these levels the ions were excited to levels in the 3d4p configuration by the frequency-doubled output of a ring dye laser with an intracavity mounted LiIO 3 crystal. Levels in the 3d 2 configuration were excited to levels in the 3d4p configuration with visible laser light. The resulting magnetic dipole (A) and electric quadrupole (B) hfs constants are analyzed in Sandars-Beck effective-operator formalism. The multiconfiguration Dirac-Fock method has been used to calculate the hfs constants for levels in the configurations 3d4s, 3d5s, 3d6s, 3d 2 , and 3d4p. Within the framework of the configuration-interaction method, an approach is presented for the calculation of the core polarization, which uses a virtual basis set localized inside the core. For all levels, this approach gives better results compared to previously published calculations

The ATLAS Measurements of Jet Production and the Strong Coupling Constant

CERN Document Server

Sawyer, Lee; The ATLAS collaboration

2017-01-01

The production of jets at hadron colliders provides a stringent test of perturbative QCD at the highest energies. The process can also be used to probe the gluon density in the parton distribution function of the proton. Specific topologies can be used to extract the strong coupling constant. The ATLAS collaboration has recently measured the inclusive jet production cross section in data collected at a center-of-mass energy of 8 TeV and 13 TeV. The measurements have been performed differentially in jet rapidity and transverse momentum. The collaboration also presents a first measurement of the dijet cross section at a center-of-mass energy of 13 TeV as a function of the dijet invariant mass and rapidity. The results have been compared with state-of-the-art theory predictions at NLO in pQCD, interfaced with different parton distribution functions and can be used to constrain the proton structure. We also present new measurements of transverse energy-energy correlations (TEEC) and their associated asymmetries (...

Binding of hypernuclei in the latest quark-meson coupling model

International Nuclear Information System (INIS)

Guichon, Pierre A.M.; Thomas, Anthony W.; Tsushima, Kazuo

2008-01-01

The most recent development of the quark-meson coupling (QMC) model, in which the effect of the mean scalar field in-medium on the hyperfine interaction is also included self-consistently, is used to compute the properties of hypernuclei. The calculations for Λ and Ξ hypernuclei are of comparable quality to earlier QMC results without the additional parameter needed there. Even more significantly, the additional repulsion associated with the increased hyperfine interaction in-medium completely changes the predictions for Σ hypernuclei. Whereas in the earlier work they were bound by an amount similar to Λ hypernuclei, here they are unbound, in qualitative agreement with the experimental absence of such states. The equivalent non-relativistic potential felt by the Σ is repulsive inside the nuclear interior and weakly attractive in the nuclear surface, as suggested by the analysis of Σ-atoms

Calculations of hyperfine parameters in antimony compounds

International Nuclear Information System (INIS)

Svane, A.

2003-01-01

The electron contact density and electric-field gradient on the Sb nuclear position is calculated in a series of 22 Sb compounds, comprising metallic, covalent as well as ionic Sb(III) and Sb(V) systems. The full-potential linear-muffin-tin-orbitals method is used with the local-density-approximation for exchange and correlation effects. By comparison with experimental 121 Sb and 123 Sb nuclear quadrupole resonance data and 121 Sb Moessbauer data, the calibration constants relating measured quadrupole coupling constants and isomer shifts to the electric-field gradient and the electron contact density, respectively, are derived. This leads to an accurate determination of the quadrupole moment of the 121 Sb nuclear ground state as Q=-66.9 fm 2 . The difference between the mean-square radius of the 121 Sb nucleus in its excited isomeric and ground states is found to be Δ 2 >=-0.0521 fm 2

Constant-roll (quasi-)linear inflation

Science.gov (United States)

Karam, A.; Marzola, L.; Pappas, T.; Racioppi, A.; Tamvakis, K.

2018-05-01

In constant-roll inflation, the scalar field that drives the accelerated expansion of the Universe is rolling down its potential at a constant rate. Within this framework, we highlight the relations between the Hubble slow-roll parameters and the potential ones, studying in detail the case of a single-field Coleman-Weinberg model characterised by a non-minimal coupling of the inflaton to gravity. With respect to the exact constant-roll predictions, we find that assuming an approximate slow-roll behaviour yields a difference of Δ r = 0.001 in the tensor-to-scalar ratio prediction. Such a discrepancy is in principle testable by future satellite missions. As for the scalar spectral index ns, we find that the existing 2-σ bound constrains the value of the non-minimal coupling to ξphi ~ 0.29–0.31 in the model under consideration.

Hyperfine interactions of /sup 12/B implanted in ferromagnetic nickel

Energy Technology Data Exchange (ETDEWEB)

Hamagaki, H; Nojiri, Y; Sugimoto, K [Osaka Univ., Toyonaka (Japan). Dept. of Physics; Nakai, K

1979-12-01

Temperature dependences of hyperfine interactions of /sup 12/B implanted in Ni were investigated in the temperature range of 6 K - 730 K by the NMR method with use of polarized /sup 12/B produced in a nuclear reaction and the asymmetric ..beta.. decay. Two kinds of hyperfine fields with different signs were observed (B sub(hf)sup(+) = +4.161 +- 0.022 kG and B sub(hf)sup(-) = -1.611 +- 0.021 kG at 6 K), which indicated that the implanted /sup 12/B were trapped in two different sites (S/sup +/ and S/sup -/, respectively). The spin-lattice relaxation times T/sub 1/ and the population rates at the two sites were studied. Near the Curie temperature, an effect of critical slowing-down of the spin-spin correlation was observed as steep variation of T/sub 1/. The behavior of local field around T sub(C) was also studied by varying the external field. Results of these experiments near T sub(C) indicate itinerant nature of the electron-spin structure in nickel.

Many-body study of van der Waals interaction involving lithium and rare-gas atoms and its contribution to hyperfine shifts

International Nuclear Information System (INIS)

Rao, B.K.; Das, T.P.

1982-01-01

Using linked cluster many-body perturbation theory, the frequency-dependent dipole polarizabilities a(ω) has been calculated for the lithium atom. The value of a(ω) at the static limit (169.04 a 0 3 ) matches well with other available theoretical values and experimental results. These values have been used to calculate the van der Waals constants for interactions of lithium, helium and neon atoms. The values of the van der Waals constants for dipole-dipole interaction in atomic units are -22.9, -44.8, -1465.8, 184950.0, 2011.8, 3896.5, 30.3, 59.0 and 115.1 for Li-He, Li-Ne, Li-Li, Li-Li-Li, Li-Li-He, Li-Li-Ne, Li-He-He, Li-He-Ne and Li-Ne-Ne interactions respectively. Obtaining the suitable response functions for lithium and helium atoms, the long range contribution to Δa(r)/a 0 in the study of fractional frequency shift in hyperfine pressure and temperature shift measurements is obtained as -541 atomic units. (author)

Ab initio calculations and experimental measurement of the deuterium quadrupole coupling constant in Na2PDO3

International Nuclear Information System (INIS)

Trudeau, J.D.; Schwartz, J.L.; Farrar, T.C.

1991-01-01

The deuterium quadrupole coupling constant, χ D , in the PDO 3 2- anion has been measured in solution by NMR spin-lattice (T 1 ) relaxation time measurements and it has been calculated via ab initio methods. The experimental value of 94.7 ± 0.5 kHz is in excellent agreement with the ab initio value of 95.0 kHz. The activation energy for the ion reorientation is 2.23 ± 0.01 kJ mol -1

Experimental and ab initio study of the hyperfine parameters of ZnFe {sub 2}O{sub 4} with defects

Energy Technology Data Exchange (ETDEWEB)

Quintero, J. Melo; Salcedo Rodríguez, K. L.; Pasquevich, G. A.; Zélis, P. Mendoza; Stewart, S. J., E-mail: stewart@fisica.unlp.edu.ar; Rodríguez Torres, C. E.; Errico, L. A. [Universidad Nacional de La Plata, IFLP-CCT- La Plata-CONICET and Departamento de Física, Facultad de Ciencias Exactas, C. C. 67 (Argentina)

2016-12-15

We present a combined Mössbauer and ab initio study on the influence of oxygen-vacancies on the hyperfine and magnetic properties of the ZnFe {sub 2}O{sub 4} spinel ferrite. Samples with different degree of oxygen-vacancies were obtained from zinc ferrite powder that was thermally treated at different temperatures up to 650 {sup ∘}C under vacuum.Theoretical calculations of the hyperfine parameters, magnetic moments and magnetic alignment have been carried out considering different defects such as oxygen vacancies and cation inversion. We show how theoretical and experimental approaches are complementary to characterize the local structure around Fe atoms and interpret the observed changes in the hyperfine parameters as the level of defects increases.

Characterization of the hyperfine interaction of the excited D50 state of Eu3 +:Y2SiO5

Science.gov (United States)

Cruzeiro, Emmanuel Zambrini; Etesse, Jean; Tiranov, Alexey; Bourdel, Pierre-Antoine; Fröwis, Florian; Goldner, Philippe; Gisin, Nicolas; Afzelius, Mikael

2018-03-01

We characterize the europium (Eu3 +) hyperfine interaction of the excited state (D50) and determine its effective spin Hamiltonian parameters for the Zeeman and quadrupole tensors. An optical free induction decay method is used to measure all hyperfine splittings under a weak external magnetic field (up to 10 mT) for various field orientations. On the basis of the determined Hamiltonian, we discuss the possibility to predict optical transition probabilities between hyperfine levels for the F70⟷D50 transition. The obtained results provide necessary information to realize an optical quantum memory scheme which utilizes long spin coherence properties of 3 + 151Eu :Y2SiO5 material under external magnetic fields.

Wormholes and the cosmological constant problem.

Science.gov (United States)

Klebanov, I.

The author reviews the cosmological constant problem and the recently proposed wormhole mechanism for its solution. Summation over wormholes in the Euclidean path integral for gravity turns all the coupling parameters into dynamical variables, sampled from a probability distribution. A formal saddle point analysis results in a distribution with a sharp peak at the cosmological constant equal to zero, which appears to solve the cosmological constant problem. He discusses the instabilities of the gravitational Euclidean path integral and the difficulties with its interpretation. He presents an alternate formalism for baby universes, based on the "third quantization" of the Wheeler-De Witt equation. This approach is analyzed in a minisuperspace model for quantum gravity, where it reduces to simple quantum mechanics. Once again, the coupling parameters become dynamical. Unfortunately, the a priori probability distribution for the cosmological constant and other parameters is typically a smooth function, with no sharp peaks.

Energy Levels, wavelengths and hyperfine structure measurements of Sc II

Science.gov (United States)

Hala, Fnu; Nave, Gillian

2018-01-01

Lines of singly ionized Scandium (Sc II) along with other Iron group elements have been observed [1] in the region surrounding the massive star Eta Carinae [2,3] called the strontium filament (SrF). The last extensive analysis of Sc II was the four-decade old work of Johansson & Litzen [4], using low-resolution grating spectroscopy. To update and extend the Sc II spectra, we have made observation of Sc/Ar, Sc/Ne and Sc/Ge/Ar hollow cathode emission spectrum on the NIST high resolution FT700 UV/Vis and 2 m UV/Vis/IR Fourier transform spectrometers (FTS). More than 850 Sc II lines have been measured in the wavelength range of 187 nm to 3.2 μm. connecting a total of 152 energy levels. The present work also focuses to resolve hyperfine structure (HFS) in Sc II lines. We aim to obtain accurate transition wavelengths, improved energy levels and HFS constants of Sc II. The latest results from work in progress will be presented.Reference[1] Hartman H, Gull T, Johansson S and Smith N 2004 Astron. Astrophys. 419 215[2] Smith N, Morse J A and Gull T R 2004 Astrophys. J. 605 405[3] Davidson K and Humphreys R M 1997 Annu. Rev. Astron. Astrophys. 35[4] Johansson S and Litzén U 1980 Phys. Scr. 22 49

α-spectra hyperfine structure resolution by silicon planar detectors

International Nuclear Information System (INIS)

Eremin, V.K.; Verbitskaya, E.M.; Strokan, N.B.; Sukhanov, V.L.; Malyarenko, A.M.

1986-01-01

The lines with 13 keV step from the main one is α-spectra of nuclei with an odd number of nucleons take place. Silicon planar detectors n-Si with the operation surface of 10 mm 2 are developed for resolution of this hyperfine structure. The mechanism of losses in detectors for short-range-path particles is analyzed. The results of measurements from detectors with 10 keV resolution are presented

Extended calculations of energy levels, radiative properties, AJ, BJ hyperfine interaction constants, and Landé gJ-factors for nitrogen-like Ge XXVI

Science.gov (United States)

Wang, K.; Zhang, C. Y.; Jönsson, P.; Si, R.; Zhao, X. H.; Chen, Z. B.; Guo, X. L.; Chen, C. Y.; Yan, J.

2018-03-01

Employing two state-of-the-art methods, multiconfiguration Dirac-Hartree-Fock and second-order many-body perturbation theory, highly accurate calculations are performed for the lowest 272 fine-structure levels arising from the 2s22p3, 2s2p4, 2p5, 2s22p23l (l = s , p , d), 2s2p33l (l = s , p , d), and 2p43l (l = s , p , d) configurations in nitrogen-like Ge XXVI. Complete and consistent atomic data, including excitation energies, lifetimes, wavelengths, hyperfine structures, Landé gJ-factors, and E1, E2, M1, M2 line strengths, oscillator strengths, and transition rates among these 272 levels are provided. Comparisons are made between the present two data sets, as well as with other available experimental and theoretical values. The present data are accurate enough for identification and deblending of emission lines involving the n = 3 levels, and are also useful for modeling and diagnosing fusion plasmas.

Hyperfine field and electronic structure of magnetite below the Verwey transition

Czech Academy of Sciences Publication Activity Database

Řezníček, R.; Chlan, V.; Štěpánková, H.; Novák, Pavel

2015-01-01

Roč. 91, č. 12 (2015), "125134-1"-"125134-10" ISSN 1098-0121 Institutional support: RVO:68378271 Keywords : hyperfine interactions and isotope effects * density functional theory * local density approximation * gradient and other corrections * nuclear magnetic resonance Subject RIV: BM - Solid Matter Physics ; Magnetism Impact factor: 3.736, year: 2014

235U NMR study of the itinerant antiferromagnet USb2

International Nuclear Information System (INIS)

Kato, Harukazu; Sakai, Hironori; Ikushima, Kenji; Kambe, Shinsaku; Tokunaga, Yo; Aoki, Dai; Haga, Yoshinori; O-bar nuki, Yoshichika; Yasuoka, Hiroshi; Walstedt, Russell E.

2005-01-01

We have succeeded in resolving a 235 U antiferromagnetic nuclear magnetic resonance (AFNMR) signal using 235 U-enriched samples of USb 2 . The uranium hyperfine field and coupling constant estimated for this compound are consistent with those from other experiments. This is the first reported observation of 235 U NMR in conducting host material

CAL3JHH: a Java program to calculate the vicinal coupling constants (3J H,H) of organic molecules.

Science.gov (United States)

Aguirre-Valderrama, Alonso; Dobado, José A

2008-12-01

Here, we present a free web-accessible application, developed in the JAVA programming language for the calculation of vicinal coupling constant (3J(H,H)) of organic molecules with the H-Csp3-Csp3-H fragment. This JAVA applet is oriented to assist chemists in structural and conformational analyses, allowing the user to calculate the averaged 3J(H,H) values among conformers, according to its Boltzmann populations. Thus, the CAL3JHH program uses the Haasnoot-Leeuw-Altona equation, and, by reading the molecule geometry from a protein data bank (PDB) file format or from multiple pdb files, automatically detects all the coupled hydrogens, evaluating the data needed for this equation. Moreover, a "Graphical viewer" menu allows the display of the results on the 3D molecule structure, as well as the plotting of the Newman projection for the couplings.

High-precision, systematic study of hyperfine structure in the 4f/sup N/6s2 configuration of the neutral rare earths

International Nuclear Information System (INIS)

Childs, W.J.; Goodman, L.S.; Pfeufer, V.

1983-01-01

Although the hyperfine structure (hfs) of many-electron atoms has been studied intensively in recent years, it is still difficult to distinguish between the competing effects of relativity and configuration interaction. The 4f/sup N/6s 2 configuration of the neutral rare earths is of particular interest because (a) the low-lying terms are relatively free of configuration interaction, and (b) trends can be examined systematically as one proceeds through the long 4f-shell. The procedure is to deduce, from the measured hfs constants of low levels, the underlying hyperfine radial integrals for comparison with ab initio predictions. Since some of these integrals are extremely sensitive to any configuration interaction and others are not, it is possible to determine both the extent and type of configuration interaction present in some cases. Prior to the start of the present research no precise hfs information existed for the entire second half of the 4f shell of the rare earths. The present measurements were designed both to provide such data and to make possible a systematic study of the hfs throughout the 4f shell. The atomic-beam, laser-rf, double-resonance method was used for the measurements. With this technique, the occurrence of a radiofrequency transition between atomic hfs levels is detected by noting an increase in the laser-induced fluorescence

np scattering measurements at 162 MeV and the πNN coupling constant

International Nuclear Information System (INIS)

Rahm, J.; Blomgren, J.; Conde, H.; Dangtip, S.; Elmgren, K.; Olsson, N.; Roennqvist, T.; Zorro, R.; Ringbom, A.; Tibell, G.; Jonsson, O.; Nilsson, L.; Renberg, P.U.; Ericson, T.E.O.; Loiseau, B.

1999-01-01

The differential np scattering cross sections has been measured at 162 MeV in the angular range θ c.m. = 72 angle - 180 angle, using the neutron beam facility at the Svedberg Laboratory in Uppsala. Special attention was paid to the absolute normalization of the data. In the angular range 150 angle - 180 angle, the data are steeper then those of most previous measurements and predictions from energy-dependent partial-wave analyses, or nucleon-nucleon potentials. Moreover, a value of the charged πNN coupling constant, g π± 2 = 14.52 ± 0.26 (f π± 2 = 0.0803 ± 0.0014), is deduced from the data, using a novel extrapolation method. This is in good agreement with the classical text book value, but higher than those determined in recent partial-wave analyses of the nucleon-nucleon data base. (authors)

PSYCHE CPMG-HSQMBC: An NMR Spectroscopic Method for Precise and Simple Measurement of Long-Range Heteronuclear Coupling Constants.

Science.gov (United States)

Timári, István; Szilágyi, László; Kövér, Katalin E

2015-09-28

Among the NMR spectroscopic parameters, long-range heteronuclear coupling constants convey invaluable information on torsion angles relevant to glycosidic linkages of carbohydrates. A broadband homonuclear decoupled PSYCHE CPMG-HSQMBC method for the precise and direct measurement of multiple-bond heteronuclear couplings is presented. The PSYCHE scheme built into the pulse sequence efficiently eliminates unwanted proton-proton splittings from the heteronuclear multiplets so that the desired heteronuclear couplings can be determined simply by measuring frequency differences between peak maxima of pure antiphase doublets. Moreover, PSYCHE CPMG-HSQMBC can provide significant improvement in sensitivity as compared to an earlier Zangger-Sterk-based method. Applications of the proposed pulse sequence are demonstrated for the extraction of (n)J((1)H,(77)Se) and (n)J((1)H,(13)C) values, respectively, in carbohydrates; further extensions can be envisioned in any J-based structural and conformational studies. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

High-precision hyperfine structure measurement in slow atomic ion beams by collinear laser-rf double resonance

International Nuclear Information System (INIS)

Amarjit Sen; Childs, W.J.; Goodman, L.S.

1987-01-01

A new collinear laser-ion beam apparatus for slow ions (1 to 1.5 keV) has been built for measuring the hyperfine structure of metastable levels of ions with laser-rf double resonance technique. Narrow linewidths of ∼60 kHz (FWHM) have been observed for the first time in such systems. As a first application the hyperfine structure of the 4f 7 ( 8 S 0 )5d 9 D/sub J/ 0 metastable levels of /sup 151,153/Eu + has been measured with high precision. 10 refs., 8 figs

Proof of confinement of static quarks in 3-dimensional U(1) lattice gauge theory for all values of the coupling constant

International Nuclear Information System (INIS)

Goepfert, M.; Mack, G.

1981-07-01

We study the 3-dimensional pure U(1) lattice gauge theory with Villain action which is related to the 3-dimensional Z-ferro-magnet by an exact duality transformation (and also to a Coulomb system). We show that its string tension α is nonzero for all values of the coupling constant g 2 , and obeys and bound α >= const x msub(D)β -1 for small ag 2 , with β = 4π 2 /g 2 and m 2 sub(D) = (2β/a 3 )esup(-βupsiloncb(0)/2) (a = lattice spacing). A continuum limit a → 0, msub(D) fixed, exists and represents a scalar free field theory of mass msub(D). The string tension αmsub(D) -2 in physical units tends to infinite in this limit. Characteristic differences in the behavior of the model for large and small coupling constant ag 2 are found. Renormalization group aspects are discussed. (orig.)

Analysis of the interactions between difluoroacetylene and one or two hydrogen fluoride molecules based on calculated spin–spin coupling constants

DEFF Research Database (Denmark)

Provasi, Patricio F.; Caputo, María Cristina; Sauer, Stephan P. A.

2012-01-01

A theoretical study of FCCF:(HF)n complexes, with n = 1 and 2, has been carried out by means of ab initio computational methods. Two types of complexes are formed: those with FH···p interactions and those with FH···FC hydrogen bonds. The indirect spin–spin coupling constants have been calculated ...

First-principles calculations of Moessbauer hyperfine parameters for solids and large molecules

International Nuclear Information System (INIS)

Guenzburger, Diana; Ellis, D.E.; Zeng, Z.

1997-10-01

Electronic structure calculations based on Density Functional theory were performed for solids and large molecules. The solids were represented by clusters of 60-100 atoms embedded in the potential of the external crystal. Magnetic moments and Moessbauer hyperfine parameters were derived. (author)

Muonium hyperfine structure : An analytical solution to perturbative calculations

International Nuclear Information System (INIS)

Wotzasek, C.J.; Gregorio, M.A.; Reinecke, S.

1982-01-01

The purely coulombian contribution to the terms of order E sub(F) (α 2 m sub(e)/m sub(μ))ln α - 1 of the hyperfine splitting of muonium is computed. Results agree with those of other authors. The goal of the work was twofold: first, to confirm that contribution; second, and perhaps more important, to check the analytic solution of the relativistic coulombian problem of the Bethe-Salpeter equation with instantaneous kernel. (Author) [pt

Weak-interaction contributions to hyperfine splitting and Lamb shift

International Nuclear Information System (INIS)

Eides, M.I.

1996-01-01

Weak-interaction contributions to hyperfine splitting and the Lamb shift in hydrogen and muonium are discussed. The problem of sign of the weak-interaction contribution to HFS is clarified, and simple physical arguments that make this sign evident are presented. It is shown that weak-interaction contributions to HFS in hydrogen and muonium have opposite signs. A weak-interaction contribution to the Lamb shift is obtained. copyright 1996 The American Physical Society

Hyperfine field at 111Cd nuclei in Heusler alloys

International Nuclear Information System (INIS)

Styczen, B.; Walus, W.; Szytula, A.

1978-01-01

The magnitudes and signs of the hyperfine fields in the ordered ferromagnetic Heusler Alloys X 2 MnZ and XMnZ (where X is Cu, Ni, Pd while Z is In, Sn and Sb) have been investigated at liquid nitrogen and room temperatures using TDPAC method. Their signs have been found to be negative. The results have been compared with the predictions of Caroll-Blandin and Cambell-Blandin models and RKKY theory. (Auth)

Valence universal multireference coupled cluster calculations of the properties of indium in its ground and excited states

International Nuclear Information System (INIS)

Das, Madhulita; Chaudhuri, Rajat K; Chattopadhyay, Sudip; Sinha Mahapatra, Uttam

2011-01-01

In view of its importance in high precision spectroscopy, the valence universal multireference coupled cluster (VU-MRCC) method with four-component relativistic spinors has been applied to compute ionization potential (IP) and excitation energies (EEs) of the indium atom (In I). The effect of electron correlations on the ground and excited state properties is investigated using different levels of CC approximations and basis sets. This study reveals that for a given basis, the linearized VU-MRCC method tends to underestimate the IP, EEs and other one-electron properties such as magnetic hyperfine constant (A) compared to the full blown VU-MRCC method. Our computed results have been compared with available theoretical and experimental data. The IP, EEs, A and oscillator strengths (f) determined at the VU-MRCC level are in excellent agreement with the experimental results. The properties reported here further demonstrate that a basis set with at least h-type of orbitals is ubiquitous to achieve converged results.

International summer school on hyperfine interactions and physics with oriented nuclei - 1985. Pt.1,2

International Nuclear Information System (INIS)

Rotter, M.

1985-01-01

Part I and part II are presented of the contributions submitted to the International study meeting on physics with oriented nuclei and of papers from the International summer school on hyperfine interactions. The contributions and papers are devoted to the present status and further development of low temperature nuclear orientation of short-lived nuclei with emphasis on online techniques. The following topics are covered: nuclear orientation, NMR/ON, level mixing and level crossing resonances, laser spectroscopy, Moessbauer spectroscopy, polarization phenomena in low, medium and high energy physics, applications of hyperfine interaction techniques in nuclear physics, atomic physics, solid state physics, biology and materials research. (Z.J.)

Quantum size effects in Pb layers with absorbed Kondo adatoms: Determination of the exchange coupling constant

KAUST Repository

Schwingenschlö gl, Udo; Shelykh, I. A.

2009-01-01

We consider the magnetic interaction of manganese phtalocyanine (MnPc) absorbed on Pb layers that were grown on a Si substrate. We perform an ab initio calculation of the density of states and Kondo temperature as a function of the number of Pb monolayers. Comparison to experimental data [Y.-S. Fu et al., Phys. Rev. Lett. 99, 256601 (2007)] then allows us to determine the exchange coupling constant J between the spins of the adsorbed molecules and those of the Pb host. This approach gives rise to a general and reliable method for obtaining J by combining experimental and numerical results.

Quantum size effects in Pb layers with absorbed Kondo adatoms: Determination of the exchange coupling constant

KAUST Repository

Schwingenschlögl, Udo

2009-07-01

We consider the magnetic interaction of manganese phtalocyanine (MnPc) absorbed on Pb layers that were grown on a Si substrate. We perform an ab initio calculation of the density of states and Kondo temperature as a function of the number of Pb monolayers. Comparison to experimental data [Y.-S. Fu et al., Phys. Rev. Lett. 99, 256601 (2007)] then allows us to determine the exchange coupling constant J between the spins of the adsorbed molecules and those of the Pb host. This approach gives rise to a general and reliable method for obtaining J by combining experimental and numerical results.

Hyperfine transition in 209Bi80+—one step forward

International Nuclear Information System (INIS)

Sánchez, R; Andelkovic, Z; Geithner, W; König, K; Litvinov, Yu A; Maaß, B; Ullmann, J; Geppert, Ch; Gorges, Ch; Lochmann, M; Nörtershäuser, W; Schmidt, S; Vollbrecht, J; Hannen, V; Dax, A; Hammen, M; Kaufmann, S; Meisner, J; Schmidt, M; Murböck, T

2015-01-01

The hyperfine transitions in lithium-like and hydrogen-like bismuth were remeasured by direct laser spectroscopy at the experimental storage ring. For this we have now employed a voltage divider which enabled us to monitor the electron cooler voltage in situ. This will improve the experimental accuracy by about one order of magnitude with respect to our previous measurement using the same technique. (paper)

A natural cosmological constant from chameleons

International Nuclear Information System (INIS)

Nastase, Horatiu; Weltman, Amanda

2015-01-01

We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT)-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero) and the coincidence problem (why Λ is comparable to the matter density now)

A natural cosmological constant from chameleons

Directory of Open Access Journals (Sweden)

Horatiu Nastase

2015-07-01

Full Text Available We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero and the coincidence problem (why Λ is comparable to the matter density now.

A natural cosmological constant from chameleons

Energy Technology Data Exchange (ETDEWEB)

Nastase, Horatiu, E-mail: nastase@ift.unesp.br [Instituto de Física Teórica, UNESP-Universidade Estadual Paulista, R. Dr. Bento T. Ferraz 271, Bl. II, Sao Paulo 01140-070, SP (Brazil); Weltman, Amanda, E-mail: amanda.weltman@uct.ac.za [Astrophysics, Cosmology & Gravity Center, Department of Mathematics and Applied Mathematics, University of Cape Town, Private Bag, Rondebosch 7700 (South Africa)

2015-07-30

We present a simple model where the effective cosmological constant appears from chameleon scalar fields. For a Kachru–Kallosh–Linde–Trivedi (KKLT)-inspired form of the potential and a particular chameleon coupling to the local density, patches of approximately constant scalar field potential cluster around regions of matter with density above a certain value, generating the effect of a cosmological constant on large scales. This construction addresses both the cosmological constant problem (why Λ is so small, yet nonzero) and the coincidence problem (why Λ is comparable to the matter density now)

Coupling ultracold atoms to a superconducting coplanar waveguide resonator

OpenAIRE

Hattermann, H.; Bothner, D.; Ley, L. Y.; Ferdinand, B.; Wiedmaier, D.; Sárkány, L.; Kleiner, R.; Koelle, D.; Fortágh, J.

2017-01-01

We demonstrate coupling of magnetically trapped ultracold $^87$Rb ground state atoms to a coherently driven superconducting coplanar resonator on an integrated atom chip. We measure the microwave field strength in the cavity through observation of the AC shift of the hyperfine transition frequency when the cavity is driven off-resonance from the atomic transition. The measured shifts are used to reconstruct the field in the resonator, in close agreement with transmission measurements of the c...

Resolved nuclear hyperfine structure of muonium in CuCl by means of muon level-crossing resonance

International Nuclear Information System (INIS)

Schneider, J.W.; Keller, H.; Odermatt, W.; Puempin, B.; Savic, I.M.; Simmler, H.; Dodds, S.A.; Estle, T.L.; Duvarney, R.C.; Chow, K.; Kadono, R.; Kiefl, R.F.; Li, Q.; Riseman, T.M.; Zhou, H.; Lichti, R.L.; Schwab, C.

1991-01-01

Detailed muon level-crossing resonance measurements of Mu I and Mu II centres in single crystals of CuCl are presented. The hyperfine and nuclear hyperfine parameters of the closest two shells of nuclei are remarkably similar for the two centres, indicating that both are located at the same tetrahedral interstitial site with four Cu nearest neighbours and six Cl next-nearest neighbours. About 30% of the total unpaired-electron spin density is located on the muon, about 60% on the four nearest neighbours and the rest on the six next-nearest neighbours, with nothing observable for any other shell. (orig.)

Precision determination of the πN scattering lengths and the charged πNN coupling constant

International Nuclear Information System (INIS)

Ericson, T.E.O.; Loiseau, B.; Thomas, A.W.

2000-01-01

We critically evaluate the isovector GMO sumrule for the charged πNN coupling constant using recent precision data from π - p and π - d atoms and with careful attention to systematic errors. From the π - d scattering length we deduce the pion-proton scattering lengths ((1)/(2))(a π - p + a π - n ) = (-20 ± 6(statistic)±10 (systematic) ·10 -4 m -1 π c and ((1)/(2))(a π - p - a π - n ) = (903 ± 14) · 10 -4 m -1 π c . From this a direct evaluation gives g 2 c (GMO)/4π = 14.20 ± 0.07 (statistic)±0.13(systematic) or f 2 c /4π = 0.0786 ± 0.0008

Precision determination of the $\\pi N$ scattering lengths and the charged $\\pi NN$ coupling constant

CERN Document Server

Ericson, Torleif Eric Oskar; Thomas, A W

2000-01-01

We critically evaluate the isovector GMO sumrule for the charged $\\pi N N$ coupling constant using recent precision data from $\\pi ^-$p and $\\pi^-$d atoms and with careful attention to systematic errors. From the $\\pi ^-$d scattering length we deduce the pion-proton scattering lengths ${1/2}(a_{\\pi ^-p}+a_{\\pi ^-n})=(-20\\pm 6$(statistic)$ \\pm 10$ (systematic))~$\\cdot 10^{-4}m_{\\pi_c}^{-1}$ and ${1/2}(a_{\\pi ^-p}-a_{\\pi ^-n})=(903 \\pm 14)\\cdot 10^{-4}m_{\\pi_c}^{-1}$. From this a direct evaluation gives $g^2_c(GMO) =14.20\\pm 0.07$(statistic)$\\pm 0.13$(systematic) or $f^2_c= 0.0786\\pm 0.0008$.

Design and development of high-resolution atomic beam fluorescence spectroscopy facility for isotope shift and hyperfine structure measurements

International Nuclear Information System (INIS)

Acharyulu, G.V.S.G.; Sankari, M.; Kiran Kumar, P.V.; Suryanarayana, M.V.

2012-01-01

A high-resolution atomic beam fluorescence spectroscopy facility for the determination of isotope shifts and hyperfine structure in atomic species has been designed and developed. A resistively heated graphite tube atomic beam source was designed, tested and integrated into a compact interaction chamber for atomic beam fluorescence experiments. The design of the laser-atom interaction chamber and the source has been modified in a phased manner so as to achieve sub-Doppler resolution. The system has been used to record the hyperfine spectrum of the D2 transitions of Rb and K isotopes. The spectral resolution achieved is ∼ 26 MHz and is adequate to carry out high resolution measurement of isotope shifts and hyperfine structure of various atomic species. The other major advantage of the source is that it requires very small amounts of sample for achieving very good signal to noise ratio. (author)

Coupler tuning for constant gradient travelling wave accelerating structures

International Nuclear Information System (INIS)

Guo Xingkun; Ma Yanyun; Wang Xiulong

2013-01-01

The method of the coupler tuning for the constant gradient traveling wave accelerating structure was described and the formula of coupling coefficient p was deduced on the basis of analyzing the existing methods for the constant impedance traveling wave accelerating structures and coupling-cavity chain equivalent circuits. The method and formula were validated by the simulation result by CST and experiment data. (authors)

Construction of the energy matrix for complex atoms. Part VIII: Hyperfine structure HPC calculations for terbium atom

Science.gov (United States)

Elantkowska, Magdalena; Ruczkowski, Jarosław; Sikorski, Andrzej; Dembczyński, Jerzy

2017-11-01

A parametric analysis of the hyperfine structure (hfs) for the even parity configurations of atomic terbium (Tb I) is presented in this work. We introduce the complete set of 4fN-core states in our high-performance computing (HPC) calculations. For calculations of the huge hyperfine structure matrix, requiring approximately 5000 hours when run on a single CPU, we propose the methods utilizing a personal computer cluster or, alternatively a cluster of Microsoft Azure virtual machines (VM). These methods give a factor 12 performance boost, enabling the calculations to complete in an acceptable time.

First-principles calculations of Moessbauer hyperfine parameters for solids and large molecules

Energy Technology Data Exchange (ETDEWEB)

Guenzburger, Diana [Centro Brasileiro de Pesquisas Fisicas (CBPF), Rio de Janeiro, RJ (Brazil); Ellis, D.E. [Northwestern Univ., Evanston, IL (United States). Dept. of Physics; Zeng, Z. [Academia Sinica, Hefei, AH (China). Inst. of Solid-State Physics

1997-10-01

Electronic structure calculations based on Density Functional theory were performed for solids and large molecules. The solids were represented by clusters of 60-100 atoms embedded in the potential of the external crystal. Magnetic moments and Moessbauer hyperfine parameters were derived. (author) 22 refs., 8 figs., 1 tab.

Study of hyperfine parameters in Co-doped tin dioxide using PAC spectroscopy

International Nuclear Information System (INIS)

Ramos, Juliana M.; Carbonari, Artur W.; Martucci, Thiago; Costa, Messias S.; Saxena, Rajendra N.; Vianden, R.; Kessler, P.; Geruschke, T.; Steffens, M.

2011-01-01

PAC technique has been used to measure the hyperfine interactions in nano-structured powder samples of semiconducting SnO 2 doped with Co. The aim of this work is to compare the results of PAC measurements using two different techniques of introducing the radioactive 111 In probe nuclei in the sample of SnO 2 doped with Co. The perturbed gamma-gamma angular correlation (PAC) spectroscopy is used for the measurements of the magnetic hyperfine field (MHF) and the electric field gradient (EFG) at 111 Cd sites in SnO 2 doped with 1% and 2% Co. The measurement of EFG is used to study the defects introduced in the semiconductor material and also for the identification of different phases formed within the compound. The techniques utilized for introducing the radioactive 111 In in the sample are the ion-implantation using radioactive ion beam of 111 In and the chemical process in which 111 InCl 3 solution is added during the preparation of SnO 2 doped with Co using sol gel method. The ion-implantation of 111 In in SnO 2 doped with Co was carried out using the University of Bonn ion-implanter with beam energy of 160 keV. The PAC measurements were carried out with four BaF 2 detector gamma spectrometer in the temperature range of 10-295 K. The results show no significant difference in the values of hyperfine parameters. Both techniques show practically the same electric quadrupole interaction for the substitutional site. The results were compared with previous PAC and Moessbauer measurements of SnO 2 powder samples using 111 In- 111 Cd probe. (author)

Hyperfine magnetic fields at 111Cd in Heusler alloys

International Nuclear Information System (INIS)

Styczen, B.; Szytula, A.; Walus, W.

1977-01-01

The magnitudes and signs of the hyperfine magnetic field on 111 Cd nuclei at Z sites in the ordered ferromagnetic Heusler alloys X 2 MnZ and XMnZ (where X is Cu, Ni, Pd while Z is In, Sn and Sb) have been investigated at liquid nitrogen and room temperatures using TDPAC method. Their signs have been found to be negative. The results have been compared with the predictions of Caroli-Blandin and Campbell-Blandin models and RKKY theory. (author)

An Einstein-Cartan Fine Structure Constant Definition

Directory of Open Access Journals (Sweden)

Stone R. A. Jr.

2010-01-01

Full Text Available The fine structure constant definition given in Stone R.A. Jr. Progress in Physics, 2010, v.1, 11-13 is compared to an Einstein-Cartan fine structure constant definition. It is shown that the Einstein-Cartan definition produces the correct pure theory value, just not the measure value. To produce the measured value, the pure theory Einstein-Cartan fine structure constant requires only the new variables and spin coupling of the fine structure constant definition in [1].

Comprehensive Wavelengths, Energy Levels, and Hyperfine Structure Parameters of Singly-Ionized Iron-Group Elements

Science.gov (United States)

Nave, Gillian

We propose to measure wavelengths, energy levels, and hyperfine structure parameters of Ni II, Mn II, Sc II and other singly-ionized iron-group elements, covering the wavelength range 80 nm to 5500 nm. We shall use archival data from spectrometers at NIST and Kitt Peak National Observatory for spectra above 140 nm. Additional experimental observations will be taken if needed using Fourier transform spectrometers at NIST. Spectra will be taken using our normal incidence grating spectrograph to provide better sensitivity than the FT spectra and to extend the wavelength range down to 80 nm. We aim to produce a comprehensive description of the spectra of all singly-ionized iron- group elements. The wavelength uncertainty of the strong lines will be better than 1 part in 10^7. For most singly-ionized iron-group elements available laboratory data have uncertainties an order of magnitude larger than astronomical observations over wide spectra ranges. Some of these laboratory measurements date back to the 1960's. Since then, Fourier transform spectroscopy has made significant progress in improving the accuracy and quantity of data in the UV-vis-IR region, but high quality Fourier transform spectra are still needed for Mn II, Ni II and Sc II. Fourier transform spectroscopy has low sensitivity in the VUV region and is limited to wavelengths above 140 nm. Spectra measured with high-resolution grating spectrographs are needed in this region in order to obtain laboratory data of comparable quality to the STIS and COS spectrographs on the Hubble Space Telescope. Currently, such data exist only for Fe II and Cr II. Lines of Sc II, V II, and Mn II show hyperfine structure, but hyperfine structure parameters have been measured for relatively few lines of these elements. Significant errors can occur if hyperfine structure is neglected when abundances are determined from stellar spectra. Measurements of hyperfine structure parameters will be made using Fourier transform spectroscopy

Quantum effects induced by a gap in the spectrum of atom-bath coupling constants: ''Freezing'' of atomic decay and monochromatic collective radiation

International Nuclear Information System (INIS)

Mogilevtsev, D.S.; Kilin, S.Ya.

1994-08-01

A specific kind of inhibition of atomic decay (''freezing of decay) and intense monochromatic collective radiation are predicted for a single two-level atom and for a system of atoms interacting with the field bath having the gap in the spectrum of coupling constants. (author). 10 refs, 5 figs

Hyperfine splitting in positronium to O(α7me). One-photon annihilation contribution

International Nuclear Information System (INIS)

Baker, M.; Penin, A.A.; Karlsruher Institut fuer Technologie; Piclum, J.; RWTH Aachen; Steinhauser, M.

2014-02-01

We present the complete result for the O(α 7 m e ) one-photon annihilation contribution to the hyperfine splitting of the ground state energy levels in positronium. Numerically it increases the prediction of quantum electrodynamics by 217±1 kHz.

Probing the Electronic Environment of Methylindoles using Internal Rotation and (14)N Nuclear Quadrupole Coupling.

Science.gov (United States)

Gurusinghe, Ranil M; Tubergen, Michael J

2016-05-26

High-resolution rotational spectra were recorded in the 10.5-21.0 GHz frequency range for seven singly methylated indoles. (14)N nuclear quadrupole hyperfine structure and spectral splittings arising from tunneling along the internal rotation of the methyl group were resolved for all indole species. The nuclear quadrupole coupling constants were used to characterize the electronic environment of the nitrogen atom, and the program XIAM was used to fit the barrier to internal rotation to the measured transition frequencies. The best fit barriers were found to be 277.1(2), 374.32(4), 414.(5), 331.6(2), 126.8675(15), 121.413(4), and 426(3) cm(-1) for 1-methylindole through 7-methylindole, respectively. The fitted barriers were found to be in good agreement with barriers calculated at the ωB97XD/6-311++G(d,p) level. The complete set of experimental barriers is compared to theoretical investigations of the origins of methyl torsional barriers and confirms that the magnitude of these barriers is an overall effect of individual hyperconjugative and structural interactions of many bonding/antibonding orbitals.

Towards Measuring the Ground State Hyperfine Splitting of Antihydrogen -- A Progress Report

CERN Document Server

Sauerzopf, C.

2016-06-20

We report the successful commissioning and testing of a dedicated field-ioniser chamber for measuring principal quantum number distributions in antihydrogen as part of the ASACUSA hyperfine spectroscopy apparatus. The new chamber is combined with a beam normalisation detector that consists of plastic scintillators and a retractable passivated implanted planar silicon (PIPS) detector.

cap alpha. -spectra hyperfine structure resolution by silicon planar detectors

Energy Technology Data Exchange (ETDEWEB)

Eremin, V K; Verbitskaya, E M; Strokan, N B; Sukhanov, V L; Malyarenko, A M

1986-10-01

The lines with 13 keV step from the main one is ..cap alpha..-spectra of nuclei with an odd number of nucleons take place. Silicon planar detectors n-Si with the operation surface of 10 mm/sup 2/ are developed for resolution of this hyperfine structure. The mechanism of losses in detectors for short-range-path particles is analyzed. The results of measurements from detectors with 10 keV resolution are presented.

The strong influence of the solvent on the electron spin resonance spectra of semiquinone radical anions

DEFF Research Database (Denmark)

Spanget-Larsen, Jens

2013-01-01

). The proton hyperfine constants predicted for the chrysazin semiquinone radical anion were highly sensitive to the assumed dielectric constant ε of the solvent continuum, inverting the relative magnitudes of the hyperfine constants and thereby leading to agreement with the observed data published by Stegmann...

Electron plasmas as a diagnostic tool for hyperfine spectroscopy of antihydrogen

Energy Technology Data Exchange (ETDEWEB)

Friesen, T.; Thompson, R. I. [Department of Physics and Astronomy, University of Calgary, Calgary AB, T2N 1N4 (Canada); Amole, C.; Capra, A.; Menary, S. [Department of Physics and Astronomy, York University, Toronto ON, M3J 1P3 (Canada); Ashkezari, M. D.; Hayden, M. E. [Department of Physics, Simon Fraser University, Burnaby BC, V5A 1S6 (Canada); Baquero-Ruiz, M.; Fajans, J.; Little, A.; So, C.; Wurtele, J. S. [Department of Physics, University of California, Berkeley, CA 94720-7300 (United States); Bertsche, W. [School of Physics and Astronomy, University of Manchester, M13 9PL Manchester, UK and The Cockcroft Institute, WA4 4AD Warrington (United Kingdom); Bowe, P. D.; Hangst, J. S.; Rasmussen, C. O. [Department of Physics and Astronomy, Aarhus University, DK-8000 Aarhus C (Denmark); Butler, E. [Physics Department, CERN, CH-1211 Geneva 23 (Switzerland); Cesar, C. L.; Silveira, D. M. [Instituto de Fisica, Universidade Federal do Rio de Janeiro, Rio de Janeiro 21941-972 (Brazil); Charlton, M. [Department of Physics, College of Science, Swansea University, Swansea SA2 8PP (United Kingdom); and others

2013-03-19

Long term magnetic confinement of antihydrogen atoms has recently been demonstrated by the ALPHA collaboration at CERN, opening the door to a range of experimental possibilities. Of particular interest is a measurement of the antihydrogen spectrum. A precise comparison of the spectrum of antihydrogen with that of hydrogen would be an excellent test of CPT symmetry. One prime candidate for precision CPT tests is the ground-state hyperfine transition; measured in hydrogen to a precision of nearly one part in 10{sup 12}. Effective execution of such an experiment with trapped antihydrogen requires precise knowledge of the magnetic environment. Here we present a solution that uses an electron plasma confined in the antihydrogen trapping region. The cyclotron resonance of the electron plasma is probed with microwaves at the cyclotron frequency and the subsequent heating of the electron plasma is measured through the plasma quadrupole mode frequency. Using this method, the minimum magnetic field of the neutral trap can be determined to within 4 parts in 10{sup 4}. This technique was used extensively in the recent demonstration of resonant interaction with the hyperfine levels of trapped antihydrogen atoms.

Room-temperature coupling between electrical current and nuclear spins in OLEDs

Science.gov (United States)

Malissa, H.; Kavand, M.; Waters, D. P.; van Schooten, K. J.; Burn, P. L.; Vardeny, Z. V.; Saam, B.; Lupton, J. M.; Boehme, C.

2014-09-01

The effects of external magnetic fields on the electrical conductivity of organic semiconductors have been attributed to hyperfine coupling of the spins of the charge carriers and hydrogen nuclei. We studied this coupling directly by implementation of pulsed electrically detected nuclear magnetic resonance spectroscopy in organic light-emitting diodes (OLEDs). The data revealed a fingerprint of the isotope (protium or deuterium) involved in the coherent spin precession observed in spin-echo envelope modulation. Furthermore, resonant control of the electric current by nuclear spin orientation was achieved with radiofrequency pulses in a double-resonance scheme, implying current control on energy scales one-millionth the magnitude of the thermal energy.

Exploring the Structure of a DNA Hairpin with the Help of NMR Spin-Spin Coupling Constants: An Experimental and Quantum Chemical Investigation

Czech Academy of Sciences Publication Activity Database

Sychrovský, Vladimír; Vacek, Jaroslav; Hobza, Pavel; Žídek, L.; Sklenář, V.; Cremer, D.

2002-01-01

Roč. 106, - (2002), s. 10242-10250 ISSN 1089-5639 R&D Projects: GA MŠk LN00A032 Institutional research plan: CEZ:AV0Z4040901 Keywords : DNA * help of NMR spin-spin coupling constants * quantum chemical investigation Subject RIV: CF - Physical ; Theoretical Chemistry Impact factor: 2.765, year: 2002

On the model dependence of the determination of the strong coupling constant in second order QCD from e+e--annihilation into hadrons

International Nuclear Information System (INIS)

Achterberg, O.; D'Agostini, G.; Apel, W.D.; Engler, J.; Fluegge, G.; Forstbauer, B.; Fries, D.C.; Fues, W.; Gamerdinger, K.; Henkes, T.; Hopp, G.; Krueger, M.; Kuester, H.; Mueller, H.; Randoll, H.; Schmidt, G.; Schneider, H.; Boer, W. de; Buschhorn, G.; Grindhammer, G.; Grosse-Wiesmann, P.; Gunderson, B.; Kiesling, C.; Kotthaus, R.; Kruse, U.; Lierl, H.; Lueers, D.; Oberlack, H.; Schacht, P.; Bonneaud, G.; Colas, P.; Cordier, A.; Davier, M.; Fournier, D.; Grivaz, J.F.; Haissinski, J.; Journe, V.; Laplanche, F.; Le Diberder, F.; Mallik, U.; Ros, E.; Veillet, J.J.; Behrend, H.J.; Fenner, H.; Schachter, M.J.; Schroeder, V.; Sindt, H.

1983-12-01

Hadronic events obtained with the CELLO detector at PETRA are compared with second order QCD predictions using different models for the fragmentation of quarks and gluons into hadrons. We find that the model dependence in the determination of the strong coupling constant persists when going from first to second order QCD calculations. (orig.)

Calculation of the hyperfine interaction using an effective-operator form of many-body theory

International Nuclear Information System (INIS)

Garpman, S.; Lindgren, I.; Lindgren, J.; Morrison, J.

1975-01-01

The effective-operator form of many-body theory is reviewed and applied to the calculation of the hyperfine structure. Numerical results are given for the 2p, 3p, and 4p excited states of Li and the 3p state of Na. This is the first complete calculation of the hyperfine structure using an effective-operator form of perturbation theory. As in the Brueckner-Goldstone form of many-body theory, the various terms in the perturbation expansion are represented by Feynman diagrams which correspond to basic physical processes. The angular part of the perturbation diagrams are evaluated by taking advantage of the formal analogy between the Feynman diagrams and the angular-momentum diagrams, introduced by Jucys et al. The radial part of the diagrams is calculated by solving one- and two-particle equations for the particular linear combination of excited states that contribute to the Feynman diagrams. In this way all second- and third-order effects are accurately evaluated without explicitly constructing the excited orbitals. For the 2p state of Li our results are in agreement with the calculations of Nesbet and of Hameed and Foley. However, our quadrupole calculation disagrees with the work of Das and co-workers. The many-body results for Li and Na are compared with semiempirical methods for evaluating the quadrupole moment from the hyperfine interaction, and a new quadrupole moment of 23 Na is given

Class of very simple gauge theories which remain renormalizable even in the limit of infinite gauge coupling constant

International Nuclear Information System (INIS)

Kaptanoglu, S.

1983-01-01

A class of local gauge theories based on compact semisimple Lie groups is studied in the limit of infinite gauge coupling constant (g = infinity). In general, in this limit, the gauge fields become auxiliary in all gauge theories, and the system develops a richer structure of constraints. Unfortunately for most gauge theories, this limit turns out to be too singular to quantize and the theory ceases to be renormalizable. For a special class of gauge theories, however, where there are no fermions and there is only one multiplet of scalars in the adjoint representation, we prove that a consistent renormalizable quantum theory exists even in this very singular limit. We trace this exceptional behavior to a new local translationlike symmetry in the functional space that this class of gauge models possesses in the limit of infinite gauge coupling constant. By carrying out the constraint analysis, evaluating the Faddeev-Popov-Senjanovic determinant, and doing the functional integrations over the canonical momenta, the gauge fields, and most of the components of the scalar fields, we obtain an extremely simple result with no non-Abelian structure left in it. For example, for the group SU(2), the final answer reduces to the theory of a one-component self-interacting real phi 4 scalar field theory. Throughout this paper, we use functional methods and make no approximations; our results are nonperturbative and exact. We also discuss some of the possible implications of our results

Structure of the (0+,1+) mesons Bs0 and Bs1, and the strong coupling constant gBs0BK and gBs1B*K

International Nuclear Information System (INIS)

Wang, Z. G.

2008-01-01

In this article, we take the point of view that the bottomed (0 + ,1 + ) mesons B s0 and B s1 are the conventional bs meson and calculate the strong coupling constants g B s0 BK and g B s1 B*K with the light-cone QCD sum rules. The numerical values of strong coupling constants g B s1 B*K and g B s0 BK are very large and support the hadronic dressing mechanism. Just like the scalar mesons f 0 (980), a 0 (980), D s0 and axial-vector meson D s1 , the (0 + ,1 + ) bottomed mesons B s0 and B s1 may have small bs kernels of the typical bs meson size. The strong couplings to the hadronic channels (or the virtual mesons loops) may result in smaller masses than the conventional bs mesons in the potential quark models and enrich the pure bs states with other components.

Study of hyperfine parameters in Co-doped tin dioxide using PAC spectroscopy

Energy Technology Data Exchange (ETDEWEB)

Ramos, Juliana M.; Carbonari, Artur W.; Martucci, Thiago; Costa, Messias S.; Saxena, Rajendra N. [Instituto de Pesquisas Energeticas e Nucleares (IPEN/CNEN-SP), Sao Paulo, SP (Brazil); Vianden, R.; Kessler, P.; Geruschke, T.; Steffens, M., E-mail: vianden@hiskp.uni-bonn.d [Rheinische Friedrich-Wilhelms-Universitaet Bonn (HISKP- Bonn) (Germany). Helmholtz - Institut fuer Strahlen- und Kernphysik

2011-07-01

PAC technique has been used to measure the hyperfine interactions in nano-structured powder samples of semiconducting SnO{sub 2} doped with Co. The aim of this work is to compare the results of PAC measurements using two different techniques of introducing the radioactive {sup 111}In probe nuclei in the sample of SnO{sub 2} doped with Co. The perturbed gamma-gamma angular correlation (PAC) spectroscopy is used for the measurements of the magnetic hyperfine field (MHF) and the electric field gradient (EFG) at {sup 111}Cd sites in SnO{sub 2} doped with 1% and 2% Co. The measurement of EFG is used to study the defects introduced in the semiconductor material and also for the identification of different phases formed within the compound. The techniques utilized for introducing the radioactive {sup 111}In in the sample are the ion-implantation using radioactive ion beam of {sup 111}In and the chemical process in which {sup 111}InCl{sub 3} solution is added during the preparation of SnO{sub 2} doped with Co using sol gel method. The ion-implantation of {sup 111}In in SnO{sub 2} doped with Co was carried out using the University of Bonn ion-implanter with beam energy of 160 keV. The PAC measurements were carried out with four BaF{sub 2} detector gamma spectrometer in the temperature range of 10-295 K. The results show no significant difference in the values of hyperfine parameters. Both techniques show practically the same electric quadrupole interaction for the substitutional site. The results were compared with previous PAC and Moessbauer measurements of SnO{sub 2} powder samples using {sup 111}In-{sup 111}Cd probe. (author)

Revised energy levels of singly ionized lanthanum

Science.gov (United States)

Güzelçimen, Feyza; Tonka, Mehdi; Uddin, Zaheer; Bhatti, Naveed Anjum; Windholz, Laurentius; Kröger, Sophie; Başar, Gönül

2018-05-01

Based on the experimental wavenumbers of 344 spectral lines from calibrated Fourier transform (FT) spectra as well as wavenumbers of 81 lines from the wavelength tables from literature, the energy of 115 fine structure levels of singly ionized lanthanum has been revised by weighted global fits. The classifications of the lines are provided by numerous previous investigations of lanthanum by different spectroscopic methods and authors. For the high accurate determination of the center of gravity wavenumbers from the experimental spectrum, the hyperfine constants of the involved levels have been taken into account, if possible. For the 94 levels with known hyperfine constants the accuracy of energy values is better than 0.01 cm-1. For 34 levels the magnetic dipole hyperfine constants A have been determined from FT spectra as part of this work. For four of these 34 levels even electric quadrupole hyperfine constants B could be estimated. For levels, which have experimentally unknown hyperfine constants and which are connected only by lines not found in the FT spectra but taken from literature, the uncertainties of energy values are about a factor of 10 higher. A list of all revised level energies together with a compilation of hyperfine structure data is given as well as a list of all lines used.

Hyperfine interaction mechanism of magnetic field effects in sequential fluorophore and exciplex fluorescence.

Science.gov (United States)

Dodin, Dmitry V; Ivanov, Anatoly I; Burshtein, Anatoly I

2013-03-28

The magnetic field effect on the fluorescence of the photoexcited electron acceptor, (1)A∗, and the exciplex, (1)[D(+δ)A(-δ)] formed at contact of (1)A∗ with an electron donor (1)D, is theoretically explored in the framework of Integral Encounter Theory. It is assumed that the excited fluorophore is equilibrated with the exciplex that reversibly dissociates into the radical-ion pair. The magnetic field sensitive stage is the spin conversion in the resulting geminate radical-ion pair, (1, 3)[D(+)...A(-)] that proceeds due to hyperfine interaction. We confirm our earlier conclusion (obtained with a rate description of spin conversion) that in the model with a single nucleus spin 1/2 the magnitude of the Magnetic Field Effect (MFE) also vanishes in the opposite limits of low and high dielectric permittivity of the solvent. Moreover, it is shown that MFE being positive at small hyperfine interaction A, first increases with A but approaching the maximum starts to decrease and even changes the sign.

Alteration of the ground state by external magnetic fields. [External field, coupling constant ratio, static tree level approximation

Energy Technology Data Exchange (ETDEWEB)

Harrington, B J; Shepard, H K [New Hampshire Univ., Durham (USA). Dept. of Physics

1976-03-22

By fully exploiting the mathematical and physical analogy to the Ginzburg-Landau theory of superconductivity, a complete discussion of the ground state behavior of the four-dimensional Abelian Higgs model in the static tree level approximation is presented. It is shown that a sufficiently strong external magnetic field can alter the ground state of the theory by restoring a spontaneously broken symmetry, or by creating a qualitatively different 'vortex' state. The energetically favored ground state is explicitly determined as a function of the external field and the ratio between coupling constants of the theory.

An analysis of the rotational, fine and hyperfine effects in the (0, 0) band of the A7Π- X7Σ + transition of manganese monohydride, MnH

Science.gov (United States)

Gengler, Jamie J.; Steimle, Timothy C.; Harrison, Jeremy J.; Brown, John M.

2007-02-01

High-resolution (±0.003 cm -1), laser induced fluorescence (LIF) spectra of a supersonic molecular beam sample of manganese monohydride, MnH, have been recorded in the 17500-17800 cm -1 region of the (0, 0) band of the A7Π- X7Σ + system. The low- N branch features were modeled successfully by inclusion of the magnetic hyperfine mixings of spin components within a given low- N rotational level using a traditional 'effective' Hamiltonian approach. An improved set of spectroscopic constants has been extracted and compared with those from previous analyses. The optimum optical features for future optical Stark and Zeeman measurements are identified.

Hyperfine splitting of low-lying heavy baryons

Energy Technology Data Exchange (ETDEWEB)

Harada, M.; Qamar, A.; Schechter, J. [Syracuse Univ., NY (United States). Dept. of Physics; Sannino, F. [Syracuse Univ., NY (United States). Dept. of Physics]|[Dipartimento di Scienze Fisiche and Istituto Nazionale di Fisica Nucleare, Mostra D`Oltremare Pad. 19, 80125, Napoli (Italy); Weigel, H. [Institute for Theoretical Physics, Tuebingen University, Auf der Morgenstelle 14, D-72076, Tuebingen (Germany)

1997-11-10

We calculate the next-to-leading order contribution to the masses of the heavy baryons in the bound-state approach for baryons containing a heavy quark. These 1/N{sub C} corrections arise when states of good spin and isospin are generated from the background soliton of the light meson fields. Our study is motivated by the previously established result that light vector meson fields are required for this soliton in order to reasonably describe the spectrum of both the light and the heavy baryons. We note that the inclusion of light vector mesons significantly improves the agreement of the predicted hyperfine splitting with experiment. A number of aspects of this somewhat complicated calculation are discussed in detail. (orig.). 33 refs.

On the Angular Dependence of the Vicinal Fluorine-Fluorine Coupling Constant in 1,2-Difluoroethane:  Deviation from a Karplus-like Shape.

Science.gov (United States)

Provasi, Patricio F; Sauer, Stephan P A

2006-07-01

The angular dependence of the vicinal fluorine-fluorine coupling constant, (3)JFF, for 1,2-difluoroethane has been investigated with several polarization propagator methods. (3)JFF and its four Ramsey contributions were calculated using the random phase approximation (RPA), its multiconfigurational generalization, and both second-order polarization propagator approximations (SOPPA and SOPPA(CCSD)), using locally dense basis sets. The geometries were optimized for each dihedral angle at the level of density functional theory using the B3LYP functional and fourth-order Møller-Plesset perturbation theory. The resulting coupling constant curves were fitted to a cosine series with 8 coefficients. Our results are compared with those obtained previously and values estimated from experiment. It is found that the inclusion of electron correlation in the calculation of (3)JFF reduces the absolute values. This is mainly due to changes in the FC contribution, which for dihedral angles around the trans conformation even changes its sign. This sign change is responsible for the breakdown of the Karplus-like curve.

Measurement of the magnetic hyperfine field at the 181 Ta site in nickel matrix

International Nuclear Information System (INIS)

Saxena, R.N.; Carbonari, A.W.; Pendl Junior, W.; Attili, R.N.; Kenchian, G.; Soares, J.C.A.C.R.; Moreno, M.S.

1990-01-01

The hyperfine magnetic field on the Ta 181 nucleus were determined using the gamma-gamma perturbed angular correlation method, on a nickel matrix, with a 133-482 KeV cascade from the Hf- 181 beta minus decay. (L.C.J.A.)

On time variation of fundamental constants in superstring theories

International Nuclear Information System (INIS)

Maeda, K.I.

1988-01-01

Assuming the action from the string theory and taking into account the dynamical freedom of a dilaton and its coupling to matter fluid, the authors show that fundamental 'constants' in string theories are independent of the 'radius' of the internal space. Since the scalar related to the 'constants' is coupled to the 4-dimensional gravity and matter fluid in the same way as in the Jordan-Brans Dicke theory with ω = -1, it must be massive and can get a mass easily through some symmetry breaking mechanism (e.g. the SUSY breaking due to a gluino condensation). Consequently, time variation of fundamental constants is too small to be observed

Measurement of the strong coupling constant {alpha}{sub s} with hadronic jets in deep inelastic scattering; Mesure de la constante de couplage forte {alpha}{sub s} avec les jets hadroniques en diffusion inelastique profonde

Energy Technology Data Exchange (ETDEWEB)

Gouzevitch, Maxime

2008-12-15

In this analysis we have used the production of hard jets in neutral-current DIS for the extraction of the strong coupling constant {alpha}{sub s}. The jets have been selected in the NC DIS events at large momentum transvers 1505. Three jet observables normalized to the total NC DIS cross section have been used: Inclusive jet multiplicity as well as the production rates of 2-jet and 3-jet events. The prediction of the renormalization-group equation for the evolution of the strong coupling constant has been successfully tested for two orders of magnitude between Q=2 QeV to Q=122 GeV. The better precision on {alpha}{sub s}(m{sub Z}) has been obtained with the combination ob the three observables at Q{sup 2}>150 GeV{sup 2}: {alpha}{sub s}(m{sub Z})=0.1180{+-}0.0007(exp.){sub -0.0034}{sup +0.0050}(th.){+-}0.0017(pdf.).

On the truncation of the number of excited states in density functional theory sum-over-states calculations of indirect spin spin coupling constants

International Nuclear Information System (INIS)

Zarycz, M. Natalia C.; Provasi, Patricio F.; Sauer, Stephan P. A.

2015-01-01

It is investigated, whether the number of excited (pseudo)states can be truncated in the sum-over-states expression for indirect spin-spin coupling constants (SSCCs), which is used in the Contributions from Localized Orbitals within the Polarization Propagator Approach and Inner Projections of the Polarization Propagator (IPPP-CLOPPA) approach to analyzing SSCCs in terms of localized orbitals. As a test set we have studied the nine simple compounds, CH 4 , NH 3 , H 2 O, SiH 4 , PH 3 , SH 2 , C 2 H 2 , C 2 H 4 , and C 2 H 6 . The excited (pseudo)states were obtained from time-dependent density functional theory (TD-DFT) calculations with the B3LYP exchange-correlation functional and the specialized core-property basis set, aug-cc-pVTZ-J. We investigated both how the calculated coupling constants depend on the number of (pseudo)states included in the summation and whether the summation can be truncated in a systematic way at a smaller number of states and extrapolated to the total number of (pseudo)states for the given one-electron basis set. We find that this is possible and that for some of the couplings it is sufficient to include only about 30% of the excited (pseudo)states

Full four-component relativistic calculations of the one-bond 77Se-13C spin-spin coupling constants in the series of selenium heterocycles and their parent open-chain selenides.

Science.gov (United States)

Rusakov, Yury Yu; Rusakova, Irina L; Krivdin, Leonid B

2014-05-01

Four-component relativistic calculations of (77)Se-(13)C spin-spin coupling constants have been performed in the series of selenium heterocycles and their parent open-chain selenides. It has been found that relativistic effects play an essential role in the selenium-carbon coupling mechanism and could result in a contribution of as much as 15-25% of the total values of the one-bond selenium-carbon spin-spin coupling constants. In the overall contribution of the relativistic effects to the total values of (1)J(Se,C), the scalar relativistic corrections (negative in sign) by far dominate over the spin-orbit ones (positive in sign), the latter being of less than 5%, as compared to the former (ca 20%). A combination of nonrelativistic second-order polarization propagator approach (CC2) with the four-component relativistic density functional theory scheme is recommended as a versatile tool for the calculation of (1)J(Se,C). Solvent effects in the values of (1)J(Se,C) calculated within the polarizable continuum model for the solvents with different dielectric constants (ε 2.2-78.4) are next to negligible decreasing negative (1)J(Se,C) in absolute value by only about 1 Hz. The use of the locally dense basis set approach applied herewith for the calculation of (77)Se-(13)C spin-spin coupling constants is fully justified resulting in a dramatic decrease in computational cost with only 0.1-0.2-Hz loss of accuracy. Copyright © 2014 John Wiley & Sons, Ltd.

Stark effect of the hyperfine structure of ICl in its rovibronic ground state: Towards further molecular cooling

Science.gov (United States)

Qing-Hui, Wang; Xu-Ping, Shao; Xiao-Hua, Yang

2016-01-01

Hyperfine structures of ICl in its vibronic ground state due to the nuclear spin and electric quadruple interactions are determined by diagonalizing the effective Hamiltonian matrix. Furthermore, the Stark sub-levels are precisely determined as well. The results are helpful for electro-static manipulation (trapping or further cooling) of cold ICl molecules. For example, an electric field of 1000 V/cm can trap ICl molecules less than 637 μK in the lowest hyperfine level. Project supported by the National Natural Science Foundation of China (Grant No. 11034002), the National Basic Research Program of China (Grant No. 2011CB921602), and Qing Lan Project, China.

Delocalization of Coherent Triplet Excitons in Linear Rigid Rod Conjugated Oligomers.

Science.gov (United States)

Hintze, Christian; Korf, Patrick; Degen, Frank; Schütze, Friederike; Mecking, Stefan; Steiner, Ulrich E; Drescher, Malte

2017-02-02

In this work, the triplet state delocalization in a series of monodisperse oligo(p-phenyleneethynylene)s (OPEs) is studied by pulsed electron paramagnetic resonance (EPR) and pulsed electron nuclear double resonance (ENDOR) determining zero-field splitting, optical spin polarization, and proton hyperfine couplings. Neither the zero-field splitting parameters nor the optical spin polarization change significantly with OPE chain length, in contrast to the hyperfine coupling constants, which showed a systematic decrease with chain length n according to a 2/(1 + n) decay law. The results provide striking evidence for the Frenkel-type nature of the triplet excitons exhibiting full coherent delocalization in the OPEs under investigation with up to five OPE repeat units and with a spin density distribution described by a nodeless particle in the box wave function. The same model is successfully applied to recently published data on π-conjugated porphyrin oligomers.

Observables in muon capture on 23Na and the effective weak couplings ga and gp

International Nuclear Information System (INIS)

Johnson, B.L.; Gorringe, T.P.; Armstrong, D.S.; Bauer, J.; Hasinoff, M.D.; Kovash, M.A.; Measday, D.F.; Moftah, B.A.; Porter, R.; Wright, D.H.

1996-01-01

We report measurements of capture rates and hyperfine dependences in muon capture on 23 Na to various states in Ne and F isotopes. We also report comparisons of the capture rates and hyperfine dependences for six 23 Na → 23 Ne transitions with the 1s-0d shell model with the empirical effective interaction of Brown and Wildenthal and the realistic effective interaction of Kuo and Brown. Fits to the data with the Brown and Wildenthal interaction yield an effective coupling g a = -1.01 ± 0.07 and an effective coupling ratio g p /g a = 6.5 ± 2.4. The value of g a is consistent with values of g a extracted from β + /β - decay and (p,n)/(n,p) charge exchange data, and the value of g p /g a is consistent with the predictions of PCAC and pion-pole dominance. We evaluate the nuclear model dependence of these values of g a and g p /g a and examine the role of the Gamow-Teller and other matrix elements in the 23 Na → 23 Ne transitions. copyright 1996 The American Physical Society

Magnetism and Hyperfine Parameters in Iron Rich Gd_2Fe_{17-x}Si_x Intermetallics

Science.gov (United States)

Nouri, K.; Bartoli, T.; Chrobak, A.; Moscovici, J.; Bessais, L.

2018-04-01

Gd_2Fe_{17-x}Si_x (x = 0.25 , 0.5 and 1) samples were synthesized by arc melting and annealed at 1073 K for 1 week. X-ray diffraction analysis by the Rietveld method has shown that these materials crystallize in the rhombohedral Th_2Zn_{17} -type structure (space group R\\bar{3}m ). The Curie temperature increases with Si content x, whereas the unit-cell parameters decrease slightly. The temperature dependence of magnetization data revealed that Gd_2Fe_{17-x}Si_x exhibits a second-order ferromagnetic to paramagnetic phase transition in the vicinity of the Curie temperature. Exchange coupling parameters of R-R, M-M and R-M (R—rare earth, M—transition metal) have been determined from M(T) magnetization curves based on the mean field theory calculation. The magnetic entropy change Δ S_M and the relative cooling power were estimated from isothermal magnetization curves for all samples. In the proximity of {T}_C and in an applied field of 1.56 T, Δ S_M reached a maximum values of 1.38, 1.67 and 3.07 J/kg K for x = 0.25, 0.5 and 1, respectively. We have calculated the magnetic moment per Fe atom from magnetization measurements at 293 K up to 17 kOe, and it decreases with Si content. These results are verified by the Mössbauer spectrometry measurements obtained at the same temperature. The Mössbauer spectra analysis is based on the correlation between the Wigner-Seitz volume and the isomer-shift evolution of each specific site 6c, 9d, 18f, and 18h of the R\\bar{3} m structure. For all Si concentrations, the magnitude of the hyperfine fields are {H_HF}{6c} > {H_HF}{9d} > {H_HF}{18f} > {H_HF}{18h} . The mean hyperfine field decreases with the Si content.

Hyperfine interaction studies of radon in some metals and metal oxides with the alpha-gamma angular correlation method

International Nuclear Information System (INIS)

Orre, B.; Norlin, L.O.; Johansson, K.; Falk, F.; Thun, J.E.

1975-11-01

The α-γ angular correlation method has been applied to 226 Ra and 224 Ra decay with emphasis on source and backing preparations. A simple method to prepare sources suitable for hyperfine interaction studies has been developed, namely to implant the 224 Ra activity into the backing by recoil implantation in vacuum from a 228 Th source. A high voltage should be applied, which considerably improved the profile of the implantation. The hyperfine interactions in Fe,Co,Gd,Ni were measured and analysed according to a random static quadrupole interaction combined with an aligned magnetic interaction. (Auth.)

Hyperfine interactions and structures of ferrous hydroxide and green rust II in sulfated aqueous media

International Nuclear Information System (INIS)

Olowe, A.A.; Genin, J.M.R.; Bauer, P.

1988-01-01

A sulfated ferrous hydroxide is obtained by mixing NaOH with melanterite depending on the R = [SO 4 -- ]/[OH - ] ratio and leading by oxidation to the green rust II transient compound. Hyperfine parameters are presented. (orig.)

61Ni Moessbauer study of the surface hyperfine magnetic field in nickel

International Nuclear Information System (INIS)

Stadnik, Z.M.; Stroink, G.; Griesbach, P.; Guetlich, P.; Kohara, T.

1988-01-01

61 Ni Moessbauer measurements have been performed at 4.2 K on spherical Ni particles with an average diameter of 100 and 30 A, covered with a protective layer of SiO. Their spectra contain a surface component with a significantly reduced hyperfine magnetic field as compared with the field in the bulk. This result confirms recent theoretical predictions. (orig.)

Approximate Q.C.D. lower bound for the bag constant B

International Nuclear Information System (INIS)

Nielsen, H.B.

1978-01-01

Using an article by Savvidy from 1977 in which a state in Q.C.D. with lower energy than the perturbative vacuum was found, the author calculates an approximate lower bound for the M.I.T. bag constant B relative to the Q.C.D. coupling parameter Λ. With an M.I.T. bag constant Bsup(1/4)=145 MeV the author finds Λsub(P)<=0.89 GeV when the propagator of the gluon is used to renormalize the coupling constant. (Auth.)

Towards measuring the ground state hyperfine splitting of antihydrogen – a progress report

Energy Technology Data Exchange (ETDEWEB)

Sauerzopf, C., E-mail: clemens.sauerzopf@oeaw.ac.at; Capon, A. A.; Diermaier, M. [Stefan Meyer Institute for subatomic physics, Austrian Academy of Sciences (Austria); Dupré, P. [Atomic Physics Laboratory, RIKEN (Japan); Higashi, Y. [University of Tokyo, Institute of Physics, Graduate School of Arts and Sciences (Japan); Kaga, C. [Hiroshima University, Graduate School of Advanced Sciences of Matter (Japan); Kolbinger, B. [Stefan Meyer Institute for subatomic physics, Austrian Academy of Sciences (Austria); Leali, M. [Università di Brescia, Dipartimento di Ingegneria dell’ Informazione (Italy); Lehner, S. [Stefan Meyer Institute for subatomic physics, Austrian Academy of Sciences (Austria); Rizzini, E. Lodi [Università di Brescia, Dipartimento di Ingegneria dell’ Informazione (Italy); Malbrunot, C. [Stefan Meyer Institute for subatomic physics, Austrian Academy of Sciences (Austria); Mascagna, V. [Università di Brescia, Dipartimento di Ingegneria dell’ Informazione (Italy); Massiczek, O. [Stefan Meyer Institute for subatomic physics, Austrian Academy of Sciences (Austria); Murtagh, D. J.; Nagata, Y.; Radics, B. [Atomic Physics Laboratory, RIKEN (Japan); Simon, M. C.; Suzuki, K. [Stefan Meyer Institute for subatomic physics, Austrian Academy of Sciences (Austria); Tajima, M. [University of Tokyo, Institute of Physics, Graduate School of Arts and Sciences (Japan); Ulmer, S. [Ulmer Initiative Research Unit, RIKEN (Japan); and others

2016-12-15

We report the successful commissioning and testing of a dedicated field-ioniser chamber for measuring principal quantum number distributions in antihydrogen as part of the ASACUSA hyperfine spectroscopy apparatus. The new chamber is combined with a beam normalisation detector that consists of plastic scintillators and a retractable passivated implanted planar silicon (PIPS) detector.

Entanglement and Other Nonclassical Properties of Two Two-Level Atoms Interacting with a Two-Mode Binomial Field: Constant and Intensity-Dependent Coupling Regimes

International Nuclear Information System (INIS)

Tavassoly, M.K.; Hekmatara, H.

2015-01-01

In this paper, we consider the interaction between two two-level atoms and a two-mode binomial field with a general intensity-dependent coupling regime. The outlined dynamical problem has explicit analytical solution, by which we can evaluate a few of its physical features of interest. To achieve the purpose of the paper, after choosing a particular nonlinearity function, we investigate the quantum statistics, atomic population inversion and at last the linear entropy of the atom-field system which is a good measure for the degree of entanglement. In detail, the effects of binomial field parameters, in addition to different initial atomic states on the temporal behavior of the mentioned quantities have been analyzed. The results show that, the values of binomial field parameters and the initial state of the two atoms influence on the nonclassical effects in the obtained states through which one can tune the nonclassicality criteria appropriately. Setting intensity-dependent coupling function equal to 1 reduces the results to the constant coupling case. By comparing the latter case with the nonlinear regime, we will observe that the nonlinearity disappears the pattern of collapse-revival phenomenon in the evolution of Mandel parameter and population inversion (which can be seen in the linear case with constant coupling), however, more typical collapse-revivals will be appeared for the cross-correlation function in the nonlinear case. Finally, in both linear and nonlinear regime, the entropy remains less than (but close to) 0.5. In other words the particular chosen nonlinearity does not critically affect on the entropy of the system. (paper)

Slot-Coupled Barbel Antenna

DEFF Research Database (Denmark)

Jørgensen, Kasper Lüthje; Jakobsen, Kaj Bjarne

2016-01-01

A novel slot-coupled barbel antenna is designed and analyzed. A sensitivity analysis performed in order to improve the bandwidth, while the center frequency is kept constant.......A novel slot-coupled barbel antenna is designed and analyzed. A sensitivity analysis performed in order to improve the bandwidth, while the center frequency is kept constant....

New precise measurement of muonium hyperfine structure interval at J-PARC

Energy Technology Data Exchange (ETDEWEB)

Ueno, Y., E-mail: yueno@radphys4.c.u-tokyo.ac.jp [University of Tokyo, Graduate School of Arts and Sciences (Japan); Aoki, M. [Osaka University, Graduate School of Science (Japan); Fukao, Y. [KEK (Japan); Higashi, Y.; Higuchi, T. [University of Tokyo, Graduate School of Arts and Sciences (Japan); Iinuma, H.; Ikedo, Y. [KEK (Japan); Ishida, K. [RIKEN (Japan); Ito, T. U. [Japan Atomic Energy Agency (Japan); Iwasaki, M. [RIKEN (Japan); Kadono, R. [KEK (Japan); Kamigaito, O. [RIKEN (Japan); Kanda, S. [University of Tokyo, Department of Physics (Japan); Kawall, D. [University of Massachusetts, Amherst, Department of Physics (United States); Kawamura, N.; Koda, A.; Kojima, K. M. [KEK (Japan); Kubo, M. K. [International Christian University, Graduate School of Arts and Science (Japan); Matsuda, Y. [University of Tokyo, Graduate School of Arts and Sciences (Japan); Mibe, T. [KEK (Japan); and others

2017-11-15

MuSEUM is an international collaboration aiming at a new precise measurement of the muonium hyperfine structure at J-PARC (Japan Proton Accelerator Research Complex). Utilizing its intense pulsed muon beam, we expect a ten-fold improvement for both measurements at high magnetic field and zero magnetic field. We have developed a sophisticated monitoring system, including a beam profile monitor to measure the 3D distribution of muonium atoms to suppress the systematic uncertainty.

Hyperfine characterization of the Ba Ti1-x Hfx O3 for x = 0.20

International Nuclear Information System (INIS)

Ayala, Alexandro; Lopez-Garcia, Alberto

1996-01-01

It is known that the cation substitution in perovskites produce changes in the macroscopic properties of these materials. A case to study is for example the influence of cation B partially substituted by cation B ' when ABO 3 is ferroelectric, and A B ' O 3 is paraelectric. In this work the system Ba Ti 1-x Hf x O 3 with x = 0.05, 0.10, 0.15 and 0.20 is studied by Perturbed Angular Correlations (Pac) in order to obtain microscopic information through the electric field gradient tensor (EFG) produced by electrons close to probes. Two hyperfine quadrupole interactions were detected. One interaction associated to probes with defects originated during the nuclear processes after neutron irradiation, and the other are located in B sites. At R T, the hyperfine parameters are analyzed in terms of Hf concentration. (author)

Hyperfine-Interaction-Driven Suppression of Quantum Tunneling at Zero Field in a Holmium(III) Single-Ion Magnet.