Relativistic transition wavelenghts and probabilities for spectral lines of Ne II

Transition wavelengths and probabilities for several 2p4 3p - 2p4 3s and 2p4 3d - 2p4 3p lines in fuorine-like neon ion (NeII) have been calculated within the multiconfiguration Dirac-Fock (MCDF) method with quantum electrodynamics (QED) corrections. The results are compared with all existing experimental and theoretical data

Coordinate-space approach to the bound-electron self-energy: Self-Energy screening calculation

The self-energy screening correction is evaluated in a model in which the effect of the screening electron is represented as a first-order perturbation of the self energy by an effective potential. The effective potential is the Coulomb potential of the spherically averaged charge density of the screening electron. We evaluate the energy shift due to a $1s_{1/2}$, $2s_{1/2}$, $2p_{1/2}$, or $2p_{3/2}$ electron screening a $1s_{1/2}$, $2s_{1/2}$, $2p_{1/2}$, or $2p_{3/2}$ electron, for nuclear charge Z in the range $5 \le Z\le 92$. A detailed comparison with other calculations is made.Comment: 54 pages, 10 figures, 4 table

QED self-energy contribution to highly-excited atomic states

We present numerical values for the self-energy shifts predicted by QED (Quantum Electrodynamics) for hydrogenlike ions (nuclear charge $60 \le Z \le 110$) with an electron in an $n=3$, 4 or 5 level with high angular momentum ($5/2\le j \le 9/2$). Applications include predictions of precision transition energies and studies of the outer-shell structure of atoms and ions.Comment: 20 pages, 5 figure

Perturbation Approach to the Self Energy of non-S Hydrogenic States

We present results on the self-energy correction to the energy levels of hydrogen and hydrogenlike ions. The self energy represents the largest QED correction to the relativistic (Dirac-Coulomb) energy of a bound electron. We focus on the perturbation expansion of the self energy of non-S states, and provide estimates of the so-called A60 perturbative coefficient, which can be considered as a relativistic Bethe logarithm. Precise values of A60 are given for many P, D, F and G states, while estimates are given for other electronic states. These results can be used in high-precision spectroscopy experiments in hydrogen and hydrogenlike ions. They yield the best available estimate of the self-energy correction of many atomic states.Comment: 18 pages (in 2-column format), 21 figures. Version 2 (June 20, 2003) includes minor modification

Effects of Fe doping in La1/2Ca1/2MnO3

The effect of Fe doping in the Mn site on the magnetic, transport and structural properties of polycrystalline La1/2Ca1/2MnO3 was studied. Doping with low Fe concentration (< 10%) strongly affects electrical transport and magnetization. Long range charge order is disrupted even for the lowest doping level studied (~2%). For Fe concentration up to 5% a ferromagnetic state develops at low temperature with metallic like conduction and thermal hysteresis. In this range, the Curie temperature decreases monotonously as a function of Fe doping. Insulating behavior and a sudden depression of the ferromagnetic state is observed by further Fe doping.Comment: 2 pages, presented at ICM2000, to appear in JMM

Evaluation of the self-energy correction to the g-factor of S states in H-like ions

A detailed description of the numerical procedure is presented for the evaluation of the one-loop self-energy correction to the $g$-factor of an electron in the $1s$ and $2s$ states in H-like ions to all orders in $Z\alpha$.Comment: Final version, December 30, 200

Toward high-precision values of the self energy of non-S states in hydrogen and hydrogen-like ions

The method and status of a study to provide numerical, high-precision values of the self-energy level shift in hydrogen and hydrogen-like ions is described. Graphs of the self energy in hydrogen-like ions with nuclear charge number between 20 and 110 are given for a large number of states. The self-energy is the largest contribution of Quantum Electrodynamics (QED) to the energy levels of these atomic systems. These results greatly expand the number of levels for which the self energy is known with a controlled and high precision. Applications include the adjustment of the Rydberg constant and atomic calculations that take into account QED effects.Comment: Minor changes since previous versio

Relativistic central--field Green's functions for the RATIP package

From perturbation theory, Green's functions are known for providing a simple and convenient access to the (complete) spectrum of atoms and ions. Having these functions available, they may help carry out perturbation expansions to any order beyond the first one. For most realistic potentials, however, the Green's functions need to be calculated numerically since an analytic form is known only for free electrons or for their motion in a pure Coulomb field. Therefore, in order to facilitate the use of Green's functions also for atoms and ions other than the hydrogen--like ions, here we provide an extension to the Ratip program which supports the computation of relativistic (one--electron) Green's functions in an -- arbitrarily given -- central--field potential \rV(r). Different computational modes have been implemented to define these effective potentials and to generate the radial Green's functions for all bound--state energies $E < 0$. In addition, care has been taken to provide a user--friendly component of the Ratip package by utilizing features of the Fortran 90/95 standard such as data structures, allocatable arrays, or a module--oriented design.Comment: 20 pages, 1 figur

Hadronic shift in pionic hydrogen

The hadronic shift in pionic hydrogen has been redetermined to be $\epsilon_{1s}=7.086\,\pm\,0.007(stat)\,\pm\,0.006(sys)$\,eV by X-ray spectroscopy of ground state transitions applying various energy calibration schemes. The experiment was performed at the high-intensity low-energy pion beam of the Paul Scherrer Institut by using the cyclotron trap and an ultimate-resolution Bragg spectrometer with bent crystals.Comment: 10 pages, 6 figure

Occurrence and transformation of illicit drugs in wastewater treatment plants.

Illicit drugs (IDs) and their metabolites have been recently recognized as a new group of water emerging contaminants (ECs) with potent psychoactive properties and unknown effects to the aquatic environment (Pal et al., 2013). IDs are excreted via urine and feces and arrive at wastewater treatment plants (WWTPs) where can reach ppb levels (Castiglioni et al., 2006). Over the past few years, it has been demonstrated that conventional biological processes in WWTPs are not or scarcely able to remove IDs. Thus, they are discharged into water bodies through the treated effluent (Postigo et al., 2011). Therefore, monitoring the IDs concentration in WWTPs can have a twofold advantage: i. increase knowledge on the amount of IDs discharged in the environment and estimate their effect; ii. estimating indirectly the community level consumption (Senta et al., 2014). The objective of this paper is to provide a comprehensive analysis of the occurrence and behaviour of illicit drugs and their metabolites in two Sicilian WWTPs. Specifically, two WWTPs (namely, WWTP-1 and WWTP-2) located at the north-western Sicilian coast have been monitored for 5 months (one sampling per week). The two WWTPs have a conventional scheme and mainly differ for their potentiality. Indeed, the average daily flow expressed as m3d-1 for WWTP-1 and WWTP-2 was equal to 153,600 and 19,704, respectively. Samples were analyzed for total suspended solids (TSS), illicit drugs and their metabolites (metham-phetamine; COC = cocaine; MDMA = 3,4-methylenedioxymethamphetamine; METH = methadone; EDDP = 2-ethylidene-1,5-dimethyl-3,3-diphenylpyrrolidine; MDA = 3,4-methylenedioxy amphetamine; MDEA = 3,4-methylenedioxy ethylamphetamine; THC-COOH = 11-nor-9-carboxy-\u3949-tetrahydrocannabinol; BEG= Benzoylecgonine). In order to provide a fast and sensitive approach to quantify IDs, an automated online sample preparation method has been developed. The method uses a Thermo Scientific Transcend TLX-1 system powered by TurboFlowTM technology coupled with a TSQ Quantiva Triple Quadrupole Mass Spectrometer. Specifically, THC-COOH has been extracted from 75 \ub5L of pre-filtered water (using 7 and 0.4 \ub5m paper filters) by an online sample extraction method and quantified using an isotopic dilution approach between 30 and 2000 ng L-1