Oscillator Strengths Of Lines Research Articles

H2/HD molecular data for analysis of quasar spectra in search of varying constants

Context. Absorption lines of H2 and HD molecules observed at high redshift in the line of sight towards quasars are a test ground to search for variation of the proton-to-electron mass ratio μ. For this purpose, results from astronomical observations are compared with a compilation of molecular data of the highest accuracy, obtained in laboratory studies as well as in first-principles calculations. Aims. A comprehensive line list is compiled for H2 and HD absorption lines in the Lyman (B1Σu+ − X1Σg+) and Werner (C1Πu − X1Σg+) band systems up to the Lyman cutoff at 912 Å. Molecular parameters listed for each line i are the transition wavelength λi, the line oscillator strength fi, the radiative damping parameter of the excited state Γi, and the sensitivity coefficient Ki for a variation of the proton-to-electron mass ratio. Methods. The transition wavelengths λi for the H2 and HD molecules are determined by a variety of advanced high-precision spectroscopic experiments involving narrowband vacuum ultraviolet lasers, Fourier-transform spectrometers, and synchrotron radiation sources. Results for the line oscillator strengths fi, damping parameters Γi, and sensitivity coefficients Ki are obtained in theoretical quantum chemical calculations. Results. A new list of molecular data is compiled for future analyses of cold clouds of hydrogen absorbers, specifically for studies of μ-variation from quasar data. The list is applied in a refit of quasar absorption spectra of B0642–5038 and J1237+0647 yielding constraints on a variation of the proton-to-electron mass ratio Δμ/μ consistent with previous analyses.

Large-scale Multiconfiguration Dirac–Hartree–Fock and Relativistic Configuration Interaction Calculations of Transition Data for B-like S xii

Abstract Excitation energies and lifetimes for the 213 lowest states of the n ≤ 5 configurations in B-like S xii are calculated using highly correlated wave functions, optimized with the fully relativistic multiconfiguration Dirac–Hartree–Fock method. Multipole transition rates and associated radiative data (line strengths and oscillator strengths) for transitions connecting these levels are also reported. The theoretical excitation energies are systematically compared with the NIST Atomic Spectra Database in which misidentifications are pointed out. After eliminating the latter, a mean energy difference with the standard deviation between computed and observed energies of 12 ± 341 cm−1 is obtained for the n ≥ 3 high-lying states. This level of accuracy confirms that elaborate ab initio calculations can assist in the identification of new emission lines in the solar and other astrophysical spectra. The present work provides atomic data of high accuracy for an ion of astrophysical interest, B-like S xii, for which experimental data are scarce.

Extended calculations of energy levels, radiative properties, AJ, BJ hyperfine interaction constants, and Landé gJ-factors for Nitrogen-like Se XXVIII

Employing two state-of-the-art methods, multiconfiguration Dirac–Fock and second-order many-body perturbation theory, highly accurate calculations are performed for the lowest 316 fine-structure levels arising from the 2s22p3, 2s2p4, 2p5, 2s22p23l, 2s2p33l, 2p43l, and 2s22p24l configurations in nitrogen-like Se XXVIII. 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 316 levels are provided. Comparisons are made between the present two data sets, as well as with other available experimental and theoretical values. Previous measured lines of Se XXVIII are affected by large errors for some transitions, and should be remeasured. The present calculations provide a consistent and accurate data set for line identification and modeling purposes, which can also be considered as a benchmark for other calculations. The present data are accurate enough for identification and deblending of emission lines involving the n=3,4 levels, and are also useful for modeling and diagnosing fusion plasmas.

Calculated oscillator strengths for the strongest lines of cosmochronological interest in the visible spectrum of singly ionized uranium (U II)

Calculated oscillator strengths for the strongest lines of cosmochronological interest in the visible spectrum of singly ionized uranium (U II)

Calculations of energies, transition rates, and lifetimes for the fluorine-like isoelectronic sequence with [formula omitted

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 200 fine-structure levels arising from the 2l7,2l63l′ and 2l64l′ configurations of the fluorine-like isoelectronic sequence with Z=31−35. Complete and consistent atomic data, including excitation energies, lifetimes, wavelengths, and E1, E2, M1, M2 line strengths, oscillator strengths, and transition rates among these 200 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=3,4 levels, and are also useful for modeling and diagnosing fusion plasmas.

Benchmarking Atomic Data for Astrophysics: Be-like Ions between B ii and Ne vii

Large-scale self-consistent multiconfiguration Dirac--Hartree--Fock and relativistic configuration interaction calculations are reported for the $n \leq 6$ levels in Be-like ions from B II to Ne VII. Effects from electron correlation are taken into account by means of large expansions in terms of a basis of configuration state functions, and a complete and accurate data set of excitation energies, lifetimes, wavelengths, and electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole line strengths, transition rates, and oscillator strengths for these levels is provided for each ion. Comparisons are made with available experimental and theoretical results. The uncertainty of excitation energies is assessed to be 0.01\% on average, which makes it possible to find and rule out misidentifications and aid new line identifications involving high-lying levels in astrophysical spectra. The complete data set is also useful for modeling and diagnosing astrophysical plasmas.

Extended calculations of energy levels, radiative properties, AJ, BJ hyperfine interaction constants, and Landé gJ-factors for nitrogen-like Ge XXVI

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.

Calculations for energies, transition rates, and lifetimes in Al-like Kr XXIV

Using the second-order many-body perturbation theory (MBPT) method, a complete and accurate data set of excitation energies, lifetimes, wavelengths, and electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2), and magnetic quadrupole (M2) line strengths, transition rates, and oscillator strengths for the lowest 880 levels arising from the 3l3 (0≤l≤2), 3l24l′ (0≤l≤2, 0≤l′≤3), 3s25l (0≤l≤4), 3p25l (0≤l≤1), and 3s3p5l (0≤l≤4) configurations in Al-like Kr XXIV is provided. Comparisons are made with available experimental and theoretical results. Our calculated energies are expected to be accurate enough to facilitate identifications of observed lines involving the n=4,5 levels. The complete data set is also useful for modeling and diagnosing fusion plasma.

High-resolution study of oscillator strengths and predissociation rates for 13C18O

We carried out experiments at the SOLEIL synchrotron facility to acquire data for modelling CO photochemistry in the vacuum ultraviolet. We report oscillator strengths and predissociation rates for four vibrational bands associated with transitions from the v = 0 level of the X\hbox{$^{1}\Sigma^{+}$} ground state to the v = 0–3 vibrational levels of the core excited W1Π Rydberg state, and for three overlapping bands associated with the 4pπ, 5pπ, and 5pσ Rydberg states between 92.9 and 93.4 nm in 13C18O. These results complete those obtained in the same conditions for 12C16O, 13C16O, and 12C18O recently published by us, and extend the development of a comprehensive database of line positions, oscillator strengths, and linewidths of photodissociating transitions for CO isotopologues. Absorption spectra were recorded using the Vacuum UltraViolet Fourier Transform Spectrometer (VUV-FTS) installed on the Dichroïsme Et Spectroscopie par Interaction avec le Rayonnement Synchrotron (DESIRS) beamline at SOLEIL. The resolving power of the measurements, R = 300 000 to 400 000, allows the analysis of individual line strengths and widths within the bands. Gas column densities in the differentially pumped system were calibrated using the B-X (0–0) band at 115.1 nm in 13C18O.

Semi-empirical calculations of radiative decay rates in Mo II. A comparison between oscillator strength parametrization and core-polarization-corrected relativistic Hartree-Fock approaches

We present a semi-empirical determination of Mo II radiative parameters in a wide wavelength range 1716–8789Å. Our fitting procedure to experimental oscillator strengths available in the literature permits us to provide reliable values for a large number of Mo II lines, predicting previously unmeasured oscillator strengths of lines involving 4d45p and 4d35s5p odd-parity configurations. The extracted transition radial integral values are compared with ab-initio calculations: on average they are 0.88 times the values obtained with the basic pseudo-relativistic Hartree Fock method and they agree well when core polarization effects are included. When making a survey of our present and previous studies and including also those given in the literature we observe as general trends a decreasing of transition radial integral values with filling nd shells of the same principal quantum numbers for ndk(n + 1)s→ndk(n + 1)p transitions.

Experimental and theoretical oscillator strengths of Mg i for accurate abundance analysis

Context. With the aid of stellar abundance analysis, it is possible to study the galactic formation and evolution. Magnesium is an important element to trace the alpha-element evolution in our Galaxy. For chemical abundance analysis, such as magnesium abundance, accurate and complete atomic data are essential. Inaccurate atomic data lead to uncertain abundances and prevent discrimination between different evolution models. Aims. We study the spectrum of neutral magnesium from laboratory measurements and theoretical calculations. Our aim is to improve the oscillator strengths ( f -values) of Mg I lines and to create a complete set of accurate atomic data, particularly for the near-IR region. Methods. We derived oscillator strengths by combining the experimental branching fractions with radiative lifetimes reported in the literature and computed in this work. A hollow cathode discharge lamp was used to produce free atoms in the plasma and a Fourier transform spectrometer recorded the intensity-calibrated high-resolution spectra. In addition, we performed theoretical calculations using the multiconfiguration Hartree-Fock program ATSP2K. Results. This project provides a set of experimental and theoretical oscillator strengths. We derived 34 experimental oscillator strengths. Except from the Mg I optical triplet lines (3p 3^P^o_0,1,2 - 4s 3^S_1), these oscillator strengths are measured for the first time. The theoretical oscillator strengths are in very good agreement with the experimental data and complement the missing transitions of the experimental data up to n = 7 from even and odd parity terms. We present an evaluated set of oscillator strengths, gf, with uncertainties as small as 5%. The new values of the Mg I optical triplet line (3p 3^P^o_0,1,2 - 4s 3^S_1) oscillator strength values are ~0.08 dex larger than the previous measurements.

Experimental radiative lifetimes for highly excited states and calculated oscillator strengths for lines of astrophysical interest in singly ionized cobalt (Co ii)

This work reports new experimental radiative lifetimes and calculated oscillator strengths for transitions of astrophysical interest in singly ionized cobalt. More precisely, nineteen radiative lifetimes in Co+ have been measured with the time-resolved laser-induced fluorescence technique using one- and two-step excitations. Out of these, seven belonging to the high lying 3d$^7$($^4$F)4d configuration in the energy range 90697 - 93738 cm$^{-1}$ are new, and the other twelve from th3d$^7$($^4$F)F)4p configuration with energies between 45972 and 49328 cm$^{-1}$1 are compared with previous measurements. In addition, a relativistic Hartree-Fock model including core-polarization effects has been employed to compute transition rates. Supported by the good agreement between theory and experiment for the lifetimes, new reliable transition probabilities and oscillator strengths have been deduced for 5080 Co II transitions in the spectral range 114 - 8744 nm.

EXPERIMENTALLY MEASURED RADIATIVE LIFETIMES AND OSCILLATOR STRENGTHS IN NEUTRAL VANADIUM

ABSTRACT We report a new study of the V i atom using a combination of time-resolved laser-induced fluorescence and Fourier transform spectroscopy that contains newly measured radiative lifetimes for 25 levels between 24,648 cm−1 and 37,518 cm−1 and oscillator strengths for 208 lines between 3040 and 20000 Å from 39 upper energy levels. Thirteen of these oscillator strengths have not been reported previously. This work was conducted independently of the recent studies of neutral vanadium lifetimes and oscillator strengths carried out by Den Hartog et al. and Lawler et al., and thus serves as a means to verify those measurements. Where our data overlap with their data, we generally find extremely good agreement in both level lifetimes and oscillator strengths. However, we also find evidence that Lawler et al. have systematically underestimated oscillator strengths for lines in the region of 9000 ± 100 Å. We suggest a correction of 0.18 ± 0.03 dex for these values to bring them into agreement with our results and those of Whaling et al. We also report new measurements of hyperfine structure splitting factors for three odd levels of V i lying between 24,700 and 28,400 cm−1.

Near-infrared spectroscopy of the Sun and HD 20010

Context: Effective temperature, surface gravity, and metallicity are basic spectroscopic stellar parameters necessary to characterize a star or a planetary system. Reliable atmospheric parameters for FGK stars have been obtained mostly from methods that relay on high resolution and high signal-to-noise optical spectroscopy. The advent of a new generation of high resolution near-IR spectrographs opens the possibility of using classic spectroscopic methods with high resolution and high signal-to-noise in the NIR spectral window. Aims: We aim to compile a new iron line list in the NIR from a solar spectrum to derive precise stellar atmospheric parameters, comparable to the ones already obtained from high resolution optical spectra. The spectral range covers 10 000 {\AA} to 25 000 {\AA}, which is equivalent to the Y, J, H, and K bands. Methods: Our spectroscopic analysis is based on the iron excitation and ionization balance done in LTE. We use a high resolution and high signal-to-noise ratio spectrum of the Sun from the Kitt Peak telescope as a starting point to compile the iron line list. The oscillator strengths (log gf) of the iron lines were calibrated for the Sun. The abundance analysis was done using the MOOG code after measuring equivalent widths of 357 solar iron lines. Results: We successfully derived stellar atmospheric parameters for the Sun. Furthermore, we analysed HD20010, a F8IV star, from which we derived stellar atmospheric parameters using the same line list as for the Sun. The spectrum was obtained from the CRIRES- POP database. The results are compatible with the ones found in the literature, confirming the reliability of our line list. However, due to the quality of the data we obtain large errors.

On the line shift and oscillator strength of Xe ii lines in the spectra of HnMn stars

Aims. The ultimate goal that has motivated this work is to achieve realistic oscillator strength (gf ) values to find reliable values of stellar abundances. We aim to compare the gf values of Xe ii lines found with different theoretical and experimental methods.Methods. We have undertaken calculations using the quasirelativistic and relativistic Hartree-Fock methods. Then we compare these results with those previously obtained from UVES spectra of HgMn stars.Results. 1) Our theoretical gf values are more realistic than those previously obtained for most lines. When we consider only unblended, isolated, relatively noise-free lines, however, our theoretical gf values and Yuce‘s stellar values differ little from each other. 2) In a discussion of the origin of the previously observed discrepancy between the wavelengths of Xe ii lines deducted from stellar spectra and those published by National Institute of Standards and Technology (NIST), we conclude that stellar wavelengths could be considered the standard wavelengths whenever the densities in stellar atmospheres are smaller than 1 × 1016 part. cm-3 .

Controlling of spectral and optical parameters of the F8T2 liquid–crystalline polymer (LCP) by molarity for optoelectronic devices

In here, spectral and optical properties of the F8T2 polymer for different molarities were investigated by solution technique for optoelectronic applications. The interesting and useful results were obtained for optoelectronic applications. The absorption band of F8T2 polymer exhibits a vibronic structure with two peaks at 288 and 453nm due to π–π* electronic transition. The electronic spectra of the F8T2 can be characterized visible (Q) band and Soret (B) band. The significant spectral parameters such as absorption coefficient, molar extinction coefficient, mass extinction coefficients, electric dipole line strength and oscillator strength of the F8T2 polymer were calculated. The direct allowed band gap (Egd) and indirect allowed band gap (Egid) values (2.230 and 2.251eV, respectively) of the F8T2 polymer for 1.200μM are the highest values, while the Egd and Egid values (1.723 and 2.033eV, respectively) of the F8T2 for 9.460μM are the lowest values. The Egd values of the F8T2 polymer are lower than the Egid values. The real part of dielectric constant of the F8T2 polymer is composed normal and anomalous dispersion regions. F8T2 polymer can be used in the fabrication of many optoelectronic devices due to good soluble, spectral and optical properties.

Empirically constructed dynamic electric dipole polarizability function of magnesium and its applications

The dynamic electric dipole polarizability function for the magnesium atom is formed by assembling the atomic electric dipole oscillator strength distribution from combinations of theoretical and experimental data for resonance oscillator strengths and for photoionization cross sections of valence and inner shell electrons. Consistency with the oscillator strength (Thomas-Reiche-Kuhn) sum rule requires the adopted principal resonance line oscillator strength to be several percent lower than the values given in two critical tabulations, though the value adopted is consistent with a number of theoretical determinations. The static polarizability is evaluated. Comparing the resulting dynamic polarizability as a function of the photon energy with more elaborate calculations reveals the contributions of inner shell electron excitations. The present results are applied to calculate the long-range interactions between two and three magnesium atoms and the interaction between a magnesium atom and a perfectly conducting metallic plate. Extensive comparisons of prior results for the principal resonance line oscillator strength, for the static polarizability, and for the van der Waals coefficient are given in the Appendix.

Mercapto radical (SH) in translucent interstellar clouds

We present the first detection of rotationally resolved electronic transitions of the mercapto radical (SH) in the near-ultraviolet in translucent interstellar clouds. Observational data acquired by the Ultraviolet and Visual Echelle Spectrograph of the Very Large Telescope were used to search for the near-ultraviolet absorption spectra of SH. Two weak absorption features at ~3242.40 and 3240.66 A, assigned as the p P 11 (3/2) and the (q P 21 (3/2) + q Q 11 (3/2)) doublet transitions in the A2 Σ+ –X2 Π (0, 0) band of SH, respectively, were identified in the averaged spectrum of four selected lines of sight: HD 73882, HD 78344, HD 80077, and HD 154368. These features are weak, but can be identified within a 3σ detection limit, and are found in other published data sets as well. We compiled a set of line positions and oscillator strengths of SH to facilitate the data analysis. We derived an averaged value of the SH column density, ~1.5 ± 0.3 × 1013 cm-2 , that is most likely representative for the magnitude of SH column densities in individual SH-rich translucent clouds. This value is also consistent with predictions from models for C-type shocks and turbulent dissipation regions with typical translucent cloud conditions.

DETECTION OF OH + IN TRANSLUCENT INTERSTELLAR CLOUDS: NEW ELECTRONIC TRANSITIONS AND PROBING THE PRIMARY COSMIC RAY IONIZATION RATE

We present the detection of rotationally resolved electronic transitions in the OH+ A3Π–X3Σ− (0, 0) and (1, 0) bands toward CD-32 4348, HD 63804, HD 78344, and HD 80077. These four translucent clouds have been studied in a recent Very Large Telescope/Ultraviolet and Visual Echelle Spectrograph observational run. In total, seven absorption features of OH+ are detected, and six of them are identified here for the first time, providing a precise tool to trace OH+ in translucent interstellar clouds. An improved set of line positions and oscillator strengths is compiled to support our data interpretation. A dedicated analysis of the observed features in individual targets yields an accurate determination of OH+ column densities. The results are applied to estimate the primary cosmic ray ionization rate in the investigated translucent clouds, which yields a typical value of ~1.0 × 10−16 s−1. In addition, following this work, two of the new interstellar features recently reported by Bhatt & Cami, at ~3572.65 and 3346.96 A, can be identified as OH+ absorption lines now.

H2 Lyman and Werner band lines and their sensitivity for a variation of the proton–electron mass ratio in the gravitational potential of white dwarfs

Recently an accurate analysis of absorption spectra of molecular hydrogen, observed with the Cosmic Origins Spectrograph aboard the Hubble Space Telescope, in the photosphere of white dwarf stars GD133 and GD29-38 was published in a Letter [Phys. Rev. Lett. 113, 123002 (2014)], yielding a constraint on a possible dependence of the proton-electron mass ratio on a gravitational field of strength 10,000 times that at the Earth's surface. In the present paper further details of that study are presented, in particular a re-evaluation of the spectrum of the $B^1\Sigma_u^+ - X^1\Sigma_g^+ (v',v'')$ Lyman bands relevant for the prevailing temperatures (12,000 - 14,000 K) of the photospheres. An emphasis is on the calculation of so-called $K_i$-coefficients, that represent the sensitivity of each individual line to a possible change in the proton-electron mass ratio. Such calculations were performed by semi-empirical methods and by ab initio methods providing accurate and consistent values. A full listing is provided for the molecular physics data on the Lyman bands (wavelengths $\lambda_i$, line oscillator strengths $f_i$, radiative damping rates $\Gamma_i$, and sensitivity coefficients $K_i$) as required for the analyses of H$_2$-spectra in hot dwarf stars. A similar listing of the molecular physics parameters for the $C^1\Pi_u - X^1\Sigma_g^+ (v',v'')$ Werner bands is provided for future use in the analysis of white dwarf spectra.