Descripción: A theoretical study of the relation between the relativistic formulation of the nuclear magnetic shielding and spin-rotation tensors is presented. To this end a theoretical expression of the relativistic spin-rotation tensor is formulated, considering a molecular Hamiltonian of relativistic electrons and non-relativistic nuclei. Molecular rotation effects are introduced considering the terms of the Born-Oppenheimer decomposition, which couple the electrons and nuclei dynamics. The loss of the simple relation linking both spectral parameters in the non-relativistic formulation is further analyzed carrying out a perturbative expansion of relativistic effects by means of the linear response within the elimination of the small component approach. It is concluded that relativistic effects on the spin-rotation tensor are less important than those of the nuclear magnetic shielding tensor. © 2012 American Institute of Physics.

Descripción: In the present work, numerical results of the nuclear spin-rotation (SR) tensor in the series of compounds HX (X=H,F,Cl,Br,I) within relativistic 4-component expressions obtained by Aucar [J. Chem. Phys. 136, 204119 (2012)10.1063/1.4721627] are presented. The SR tensors of both the H and X nuclei are discussed. Calculations were carried out within the relativistic Linear Response formalism at the Random Phase Approximation with the DIRAC program. For the halogen nucleus X, correlation effects on the non-relativistic values are shown to be of similar magnitude and opposite sign to relativistic effects. For the light H nucleus, by means of the linear response within the elimination of the small component approach it is shown that the whole relativistic effect is given by the spin-orbit operator combined with the Fermi contact operator. Comparison of "best estimate" calculated values with experimental results yield differences smaller than 2-3 in all cases. The validity of "Flygares relation" linking the SR tensor and the NMR nuclear magnetic shielding tensor in the present series of compounds is analyzed. © 2013 American Institute of Physics.

Descripción: Context. Relating in-situ measurements of relativistic solar particles to their parent activity in the corona requires understanding the magnetic structures that guide them from their acceleration site to the Earth. Relativistic particle events are observed at times of high solar activity, when transient magnetic structures such as interplanetary coronal mass ejections (ICMEs) often shape the interplanetary magnetic field (IMF). They may introduce interplanetary paths that are longer than nominal, and magnetic connections rooted far from the nominal Parker spiral. Aims. We present a detailed study of the IMF configurations during ten relativistic solar particle events of the 23rd activity cycle to elucidate the actual IMF configuration that guides the particles to the Earth, where they are measured by neutron monitors. Methods. We used magnetic field (MAG) and plasma parameter measurements (SWEPAM) from the ACE spacecraft and determined the interplanetary path lengths of energetic particles through a modified version of the velocity dispersion analysis based on energetic particle measurements with SoHO/ERNE. Results. We find that the majority (7/10) of the events is detected in the vicinity of an ICME. Their interplanetary path lengths are found to be longer (1.5-2.6 AU) than those of the two events propagating in the slow solar wind (1.3 AU). The longest apparent path length is found in an event within the fast solar wind, probably caused by enhanced pitch angle scattering. The derived path lengths imply that the first energetic and relativistic protons are released at the Sun at the same time as electron beam emitting type III radio bursts. Conclusions. The timing of the first high-energy particle arrival on Earth is mainly determined by the type of IMF in which the particles propagate. Initial arrival times are as expected from Parker's model in the slow solar wind, and significantly longer in or near transient structures such as ICMEs. © 2012 ESO.

Descripción: Relativistic effects on nuclear magnetic shielding constants in HX and CH 3X, where X is either Br or I, were investigated using elimination of small component (ESC) approach. The values of σ(X) were found to affected by relativistic corrections. Large negative contributions correcting the dimagnetic terms were observed that when the effect of electron-positron rotations was included within RC-ESC approach. The results show that some overall shifts from HX to CH 3X is dominated by nonrelativistic effects.

Descripción: An alternative approach for the calculation of the electron-positron (e-p) contribution to magnetic properties based on two-component Breit-Pauli spinors is presented. In it, the elimination of the small component scheme is applied to the inverse propagator matrix of e-p pairs. The effect of the positronic manifold is expressed as an operator acting on Breit-Pauli spinors. The operator form thus obtained sums up the relativistic correction as a geometric series and as a result a totally different behavior in the vicinity of a nucleus is obtained as compared to the one of the linear response approximation. This feature has deep influence in numerical values of the e-p contribution to the nuclear magnetic shielding of heavy atoms. Numerical calculations carried out for Kr, Xe, and I show that with this approach, the e-p contributions to this property are in good agreement with those of four-component methods. © 2009 American Institute of Physics.