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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Relativistic distorted-wave collision strengths and oscillator strengths for the 185Δn=0 transitions with n=2 in the 67 C-like ions with 26≤Z≤92

Relativistic distorted-wave collision strengths have been calculated for the 185 Δn=0 transitions with n=2 in the 67 C-like ions with nuclear charge number Z in the range 26≤Z≤92. The calculations were made for the six final, or scattered, electron energies E{sup ′}=0.03,0.08,0.20,0.42,0.80, and 1.40, where E{sup ′} is in units of Z{sub eff}{sup 2} Ry with Z{sub eff}=Z−4.17. In addition, electric dipole oscillator strengths are provided. In the present collision-strength calculations, an improved “top-up” method, which employs relativistic plane waves, was used to obtain the high partial-wave contribution for each transition, in contrast to the partial-relativistic Coulomb–Bethe approximation used in previous work by Zhang and Sampson [H.L. Zhang, D.H. Sampson, At. Data Nucl. Data Tables 63 (1996) 275]. In that earlier work, collision strengths were also provided for the same 185 Δn=0 transitions in C-like ions, but for the more limited list of 46 ions with Z in the range 9≤Z≤54. The collision strengths covered in the present work, particularly those for optically allowed transitions, should be more accurate than the corresponding data given by Zhang and Sampson [H.L. Zhang, D.H. Sampson, At. Data Nucl. Data Tables 63 (1996) 275] and are presented here to replace those earlier results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2014

Energy levels, oscillator strengths, radiative decay rates, and fine-structure collision strengths for the Zn-like ions Nb XII and Mo XIII

Energy levels, line strengths, oscillator strengths, radiative decay rates, and fine-structure collision strengths are presented for the Zn-like ions Nb XII and Mo XIII. The atomic data are calculated with the AUTOSTRUCTURE code, where relativistic corrections are introduced according to the Breit–Pauli distorted wave approach. We present the calculations of atomic data for 110 fine-structure levels generated from fifteen configurations (1s{sup 2}2s{sup 2}2p{sup 6}3s{sup 2}3p{sup 6}3d{sup 10})4s{sup 2}, 4s4p, 4p{sup 2}, 4s4d, 4s4f, 4s5s, 4p4d, 4s5p, 4s5d, 4p4f, 4p5s, 4d{sup 2}, 4d4f, 4f{sup 2}, and 3d{sup 9}4s{sup 2}4p. Fine-structure collision strengths for transitions from the ground and the first four excited levels are presented at six electron energies (20, 50, 80, 110, 150, and 180 Ryd). Our atomic structure data are compared with the available experimental and theoretical results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Measurement of neutral gadolinium oscillator strengths using dual-comb absorption spectroscopy in laser-produced plasmas

The oscillator strengths of 43 transitions of neutral gadolinium from 530 to 535 nm were determined based on high-resolution absorption spectra measured by probing a laser-produced plasma (LPP) using time-resolved dual-comb spectroscopy (DCS). Absorption spectra were measured at various time delays, ranging from 33 to 252 µs after the onset of the plasma formation, over which the temperature and number density varied as the ablation plume evolved. A Boltzmann analysis was used to determine the excitation temperature and column density of Gd in the ablation plume, based on measured absorption from 20 Gd I spectral lines with known oscillator strengths. Oscillator strengths were then determined for additional dipole-allowed Gd I transitions identified in the absorption spectra, 19 of which were previously unreported. Oscillator strengths of all measured transitions were compared with literature values when available and show good agreement in most cases. Time-resolved measurement of atomic absorption in the cooling plasma provides access to a range of excitation temperatures and optical densities for the atoms in the ablation plume, allowing repeated measurements under different conditions, thereby improving confidence in the results. The high spectral bandwidth and resolution capabilities of DCS make it well-suited to measuring the dense optical spectrum of Gd, and the technique is applicable to other elements, especially lanthanides and actinides.

(280.4788) Optical Sensing, (280.5395) Plasma Diag↗
DOE OSTI2015

The consequences of improperly describing oscillator strengths beyond the electric dipole approximation

The interaction between a quantum mechanical system and plane wave light is usually modeled within the electric dipole approximation. This assumes that the intensity of the incident field is constant over the length of the system and transition probabilities are described in terms of the electric dipole transition moment. For short wavelength spectroscopies, such as X-ray absorption, the electric dipole approximation often breaks down. Higher order multipoles are then included to describe transition probabilities. The square of the magnetic dipole and electric quadrupole are often included, but this results in an origin-dependent expression for the oscillator strength. The oscillator strength can be made origin-independent if all terms through the same order in the wave vector are retained. We will show the consequences and potential pitfalls of using either of these two expressions. It is shown that the origin-dependent expression may violate the Thomas-Reiche-Kuhn sum rule and the origin-independent expression can result in negative transition probabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Oscillator strength measurement for the A(0–6)–X(0), C(0)–X(0), and E(0)–X(0) transitions of CO by the dipole (γ, γ) method

The oscillator strengths of CO, especially for the excitations to the predissociating levels C{sup 1}Σ{sup +} and E{sup 1}Π, have significant applications in the studies of interstellar gases. A large number of investigations, applying a variety of experimental and calculational methods, have focused on the determination of these oscillator strengths. However, deviations of more than 10% have been observed, even for the same experimental method. In this case, we introduce a new technique, the dipole (γ, γ), to measure the oscillator strengths. The obtained oscillator strengths of the strong bands C{sup 1}Σ{sup +}(ν{sup ′}=0)−X{sup 1}Σ{sup +} and E{sup 1}Π(ν{sup ′}=0)−X{sup 1}Σ{sup +} in this work reach high accuracy and are in excellent agreement with some previous results, although they are different from the recommended values in other works. In addition, we measured the oscillator strengths of the A{sup 1}Π(ν{sup ′}=0−6)−X{sup 1}Σ{sup +} bands, and the electronic transition moment dependence on r-centroid was derived.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

OSCILLATOR STRENGTHS OF VIBRIONIC EXCITATIONS OF NITROGEN DETERMINED BY THE DIPOLE (γ, γ) METHOD

The oscillator strengths of the valence-shell excitations of molecular nitrogen have significant applicational values in studies of the Earth's atmosphere and interstellar gases. In this work, the absolute oscillator strengths of the valence-shell excitations of molecular nitrogen in 12.3–13.4 eV were measured by the novel dipole (γ, γ) method, in which the high-resolution inelastic X-ray scattering is operated at a negligibly small momentum transfer and can simulate the photoabsorption process. Because the experimental technique used in the present work is distinctly different from those used previously, the present experimental results give an independent cross-check to previous experimental and theoretical data. The excellent coincidence of the present results with the dipole (e, e) and those that were extrapolated indicates that the present oscillator strengths can serve as benchmark data.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2016

EXPERIMENTALLY MEASURED RADIATIVE LIFETIMES AND OSCILLATOR STRENGTHS IN NEUTRAL VANADIUM

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{sup −1} and 37,518 cm{sup −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{sup −1}.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Interband optical transition energy and oscillator strength in a lead based CdSe quantum dot quantum well heterostructure

Binding energies of the exciton and the interband optical transition energies are studied in a CdSe/Pb{sub 1-x}Cd{sub x}Se/CdSe spherical quantum dot-quantum well nanostructure taking into account the geometrical confinement effect. The core and shell are taken as the same material. The initial and final states of energy and the overlap integrals of electron and hole wave functions are determined by the oscillator strength. The oscillator strength and the radiative transition life time with the dot radius are investigated for various Cd alloy content in the core and shell materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Measuring the oscillator strength of intercombination lines of helium-like V ions in a laser-produced-plasma

In this work, we present results of measurements of the oscillator strength of intercombination lines of He-like Vanadium ions in high energy density (HED) laser-produced-plasmas and compare them with the simulations from commonly used codes and data from the NIST database. Whilst not yet sufficiently accurate to constrain different trusted atomic-physics models for the particular system studied, our results are in agreement with the available data within experimental error bars, yet differ from cruder approximations of the oscillator strength used in certain atomic-kinetics packages, suggesting that this general method could be further extended to be used as a measurement of the oscillator strength of additional atomic transitions under the extreme conditions that are achieved in HED experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Fine-structure calculations of energy levels, oscillator strengths, and transition probabilities for sulfur-like iron, Fe XI

Energy levels, oscillator strengths, and transition probabilities for transitions among the 14 LS states belonging to configurations of sulfur-like iron, Fe XI, have been calculated. These states are represented by configuration interaction wavefunctions and have configurations 3s{sup 2}3p{sup 4}, 3s3p{sup 5}, 3s{sup 2}3p{sup 3}3d, 3s{sup 2}3p{sup 3}4s, 3s{sup 2}3p{sup 3}4p, and 3s{sup 2}3p{sup 3}4d, which give rise to 123 fine-structure energy levels. Extensive configuration interaction calculations using the CIV3 code have been performed. To assess the importance of relativistic effects, the intermediate coupling scheme by means of the Breit–Pauli Hamiltonian terms, such as the one-body mass correction and Darwin term, and spin–orbit, spin–other-orbit, and spin–spin corrections, are incorporated within the code. These incorporations adjusted the energy levels, therefore the calculated values are close to the available experimental data. Comparisons between the present calculated energy levels as well as oscillator strengths and both experimental and theoretical data have been performed. Our results show good agreement with earlier works, and they might be useful in thermonuclear fusion research and astrophysical applications. -- Highlights: •Accurate atomic data of iron ions are needed for identification of solar corona. •Extensive configuration interaction wavefunctions including 123 fine-structure levels have been calculated. •The relativistic effects by means of the Breit–Pauli Hamiltonian terms are incorporated. •This incorporation adjusts the energy levels, therefore the calculated values are close to experimental values.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Second spectrum of Chromium (Cr II), Part II: Radiative lifetimes and oscillator strengths of transitions depopulating low lying 3d{sup 4}4p levels

Radiative lifetime and oscillator strength values were computed by means of a pseudo-relativistic Hartree–Fock model including core-polarization and compared successfully with experimental data given in the literature for respectively numerous low-lying Cr II 3d{sup 4}4p levels, up to 54784 cm{sup −1}, and transitions depopulating these levels. Then transition probability and branching fraction data were also deduced in the wavelength range 1825–94400 Å. Furthermore the extracted radial integral values, obtained with the help of the oscillator strength parameterization method, are given for involved transitions in this work, i.e. 3d{sup 4}4s–3d{sup 4}4p, 3d{sup 5}–3d{sup 4}4p and 3d{sup 4}4p–3d{sup 4}4d. We confirm our observed previous general trends, noting once again a decreasing of transition radial integral values with filling nd shells of the same principal quantum numbers for nd{sup k}(n+1)s → nd{sup k}(n+1)p transitions.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2017

Transition Energies and Absorption Oscillator Strengths for c{sub 4}{sup ′1}Σ{sub u}{sup +}−X{sup 1}Σ{sub g}{sup +}, b{sup ′1}Σ{sub u}{sup +}−X{sup 1}Σ{sub g}{sup +}, and c{sub 5}{sup ′1}Σ{sub u}{sup +}−X{sup 1}Σ{sub g}{sup +} Band Systems in N{sub 2}

Theoretical transition energies and absorption oscillator strengths for the c{sub 4}{sup ′1}Σ{sub u}{sup +} (v′ = 0–2, 5, 7, 8) − X{sup 1}Σ{sub g}{sup +}(v{sup ′′}=0--14) and c{sub 5}{sup ′1}Σ{sub u}{sup +} (v′ = 0, 2) − X{sup 1}Σ{sub g}{sup +} (v″ = 0–14) Rydberg bands, and b{sup ′1}Σ{sub u}{sup +} (v′ = 0–9, 11, 12, 14–19, 21, 22) − X{sup 1}Σ{sub g}{sup +} (v″ = 0–14) valence bands of molecular nitrogen are reported. The strong interaction between {sup 1}Σ{sub u}{sup +} states has been dealt with through a vibronic interaction matrix. As a consequence of the Rydberg-valence interaction, irregularities in the vibrational structure of the above band systems are observed. Good agreement is found with the scarce high-resolution data that are available for oscillator strengths. The new band oscillator strengths reported here may be useful for a reliable interpretation of the spectra from atmospheres of the Earth, Titan, and Triton, where N{sub 2} is the mayor constituent.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Lifetimes and oscillator strengths for ultraviolet transitions in singly ionized lead

We present the results of lifetime measurements made using beam-foil techniques on levels of astrophysical interest in Pb ii producing lines at 1203.6 Å (6s6p{sup 2} {sup 2}D{sub 3/2}) and 1433.9 Å (6s{sup 2}6d {sup 2}D{sub 3/2}). We also report the first detection of the Pb ii λ1203 line in the interstellar medium (ISM) from an analysis of archival spectra acquired by the Space Telescope Imaging Spectrograph (STIS) on board the Hubble Space Telescope (HST). The oscillator strengths derived from our experimental lifetimes for Pb ii λλ1203, 1433 are generally consistent with recent theoretical results, including our own relativistic calculations. Our analysis of high-resolution HST/STIS spectra helps to confirm the relative strengths of the Pb ii λλ1203, 1433 lines. However, the oscillator strength that we obtain for Pb ii λ1433 (0.321 ± 0.034) is significantly smaller than earlier theoretical values, which have been used to study the abundance of Pb in the ISM. Our revised oscillator strength for λ1433 yields an increase in the interstellar abundance of Pb of 0.43 dex over determinations based on the value given by Morton, indicating that the depletion of Pb onto interstellar dust grains is less severe than previously thought.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

CC2 oscillator strengths within the local framework for calculating excitation energies (LoFEx)

In a recent work [P. Baudin and K. Kristensen, J. Chem. Phys. 144, 224106 (2016)], we introduced a local framework for calculating excitation energies (LoFEx), based on second-order approximated coupled cluster (CC2) linear-response theory. LoFEx is a black-box method in which a reduced excitation orbital space (XOS) is optimized to provide coupled cluster (CC) excitation energies at a reduced computational cost. In this article, we present an extension of the LoFEx algorithm to the calculation of CC2 oscillator strengths. Two different strategies are suggested, in which the size of the XOS is determined based on the excitation energy or the oscillator strength of the targeted transitions. The two strategies are applied to a set of medium-sized organic molecules in order to assess both the accuracy and the computational cost of the methods. The results show that CC2 excitation energies and oscillator strengths can be calculated at a reduced computational cost, provided that the targeted transitions are local compared to the size of the molecule. Finally, to illustrate the potential of LoFEx for large molecules, both strategies have been successfully applied to the lowest transition of the bivalirudin molecule (4255 basis functions) and compared with time-dependent density functional theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Plexcitons: The Role of Oscillator Strengths and Spectral Widths in Determining Strong Coupling

Strong coupling interactions between plasmon and exciton-based excitations have been proposed to be useful in the design of optoelectronic systems. However, the role of various optical parameters dictating the plasmon-exciton (plexciton) interactions is less understood. Herein, we propose an inequality for achieving strong coupling between plasmons and excitons through appropriate variation of their oscillator strengths and spectral widths. These aspects are found to be consistent with experiments on two sets of free-standing plexcitonic systems obtained by (i) linking fluorescein isothiocyanate on Ag nanoparticles of varying sizes through silane coupling and (ii) electrostatic binding of cyanine dyes on polystyrenesulfonate-coated Au nanorods of varying aspect ratios. Being covalently linked on Ag nanoparticles, fluorescein isothiocyanate remains in monomeric state, and its high oscillator strength and narrow spectral width enable us to approach the strong coupling limit. In contrast, in the presence of polystyrenesulfonate, monomeric forms of cyanine dyes exist in equilibrium with their aggregates: Coupling is not observed for monomers and H-aggregates whose optical parameters are unfavorable. The large aggregation number, narrow spectral width, and extremely high oscillator strength of J-aggregates of cyanines permit effective delocalization of excitons along the linear assembly of chromophores, which in turn leads to efficient coupling with the plasmons. Further, the results obtained from experiments and theoretical models are jointly employed to describe the plexcitonic states, estimate the coupling strengths, and rationalize the dispersion curves. The experimental results and the theoretical analysis presented here portray a way forward to the rational design of plexcitonic systems attaining the strong coupling limits.

Thomas, Reshmi↗
DOE OSTI2014

High-resolution oscillator strength measurements of the v' = 0,1 bands of the B-X, C-X, and E-X systems in five isotopologues of carbon monoxide

We report oscillator strengths for six strong vibrational bands between 105.0 and 115.2 nm, associated with transitions from the v = 0 level of the X {sup 1}Σ{sup +} ground state to the v = 0 and 1 levels of the B {sup 1}Σ{sup +}, C {sup 1}Σ{sup +}, and E {sup 1}Π states, in {sup 12}C{sup 16}O, {sup 12}C{sup 17}O, {sup 12}C{sup 18}O, {sup 13}C{sup 16}O, and {sup 13}C{sup 18}O. These measurements extend the development of a comprehensive database of line positions, oscillator strengths, and linewidths of photodissociating transitions for all astrophysically relevant CO isotopologues. The E-X bands, in particular, play central roles in CO photodissociation and fractionation models of interstellar clouds and circumstellar disks including the early solar nebula. The resolving powers of the room-temperature measurements, R = 300,000-400,000, allow for the analysis of individual line strengths within bands; the measurements reveal J-dependences in the branch intensities of the C(v = 0,1)-X(0) and E(v = 0,1)-X(0) bands in all isotopologues. Minimal or no isotopologue dependence was found in the f-values of the C(v = 0,1)-X(0) and E(v = 0,1)-X(0) bands at a ∼5% uncertainty level. Revised dissociation branching ratios for the C(v = 0,1) and E(v = 0,1) levels are computed based on these f-values. The weak isotopologue dependence of the f-values presented here eliminates this mechanism as an explanation for the large {sup 17}O enrichments seen in recent laboratory photolysis experiments on CO at wavelengths from 105 to 108 nm.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Reducing Optical Gain Threshold in 2D CdSe Nanoplatelets by Giant Oscillator Strength Transition Effect

Two-dimensional CdSe nanoplatelets are promising lasing materials. Their large lateral areas reduce the optical gain threshold by increasing the oscillator strength and multiexciton lifetimes but also increase the gain threshold by requiring multiple band-edge excitons (>2) to reach the optical gain. We observe that the optical gain threshold of CdSe nanoplatelets at 4 K is similar to 4-fold lower than that at room temperature. Transient absorption spectroscopy measurements indicate that the exciton center-of-mass coherent area is smaller than the lateral size at room temperature and extends to nearly the whole nanoplatelets at 4 K. This suggests that the reduction in the optical gain threshold at a low temperature can be attributed to exciton coherent area extension that reduces the saturation number of band-edge excitons to enable biexciton gain and increases the radiative decay rate, consistent with the giant oscillator strength transition effect. This work demonstrates a new direction for lowering the optical gain threshold of nanomaterials.

Li, Qiuyang↗