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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 OSTI2013

Energy levels, wavelengths, and transition rates of multipole transitions (E1, E2, M1, M2) in Au{sup 67+} and Au{sup 66+} ions

The fully relativistic configuration interaction method of the FAC code is used to calculate atomic data for multipole transitions in Mg-like Au (Au{sup 67+}) and Al-like Au (Au{sup 66+}) ions. Generated atomic data are important in the modeling of M-shell spectra for heavy Au ions and Au plasma diagnostics. Energy levels, oscillator strengths and transition rates are calculated for electric-dipole (E1), electric quadrupole (E2), magnetic dipole (M1), and magnetic quadrupole (M2) for transitions between excited and ground states 3l−nl{sup ′}, such that n=4,5,6,7. The local central potential is derived using the Dirac–Fock–Slater method. Correlation effects to all orders are considered by the configuration interaction expansion. All relativistic effects are included in the calculations. Calculated energy levels are compared against published values that were calculated using the multi-reference many body perturbation theory, which includes higher order QED effects. Favorable agreement was observed, with less than 0.15% difference.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2013

Energies, wavelengths, and multipole transition probabilities for B-like Fe and Ga ions

Energy levels, transition probabilities, oscillator strengths, line strengths, and lifetimes have been calculated for transitions in B-like Fe and Ga ions. The configurations 2s{sup 2}2p, 2s2p{sup 2}, 2p{sup 3}, 2s2p3ℓ, and 2p{sup 2}3ℓ were used in the calculations and 125 fine-structure levels were obtained. The fully relativistic GRASP code has been adopted, and results are reported for all electric dipole, electric quadrupole, magnetic dipole, and magnetic quadrupole transitions among the lowest 125 levels of Fe XXII and Ga XXVII, belonging to the n≤3 configurations. Comparisons are made with earlier available theoretical results.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Dependence of the probabilities of the electric-multipole electron transitions in W{sup 24+} on multipolarity

Usually it is accepted that the probabilities of the electric-multipole electron transitions are rapidly decreasing functions of their multipolarity. Therefore while calculating the probabilities of electronic transitions between the configurations of certain chosen parities, it seems sufficient to take into account the first nonzero term, i.e., to consider the electron transitions of lowest multipolarity permitted by the exact selection rules. This paper aims at verifying this assumption on the example of electric-octupole transitions in W{sup 24+} ion. For this purpose the large-scale multiconfiguration Hartree-Fock and Dirac-Fock calculations have been performed for the configurations [Kr]4d{sup 10}4f{sup 4} and [Kr]4d{sup 10}4f{sup 3}5s energy levels of W{sup 24+} ion. The relativistic corrections were taken into account in the quasirelativistic Breit-Pauli and fully relativistic Breit (taking into account QED effects) approximations. The role of correlation, relativistic, and QED corrections is discussed. Line strengths, oscillator strengths, and transition probabilities in Coulomb and Babushkin gauges are presented for E1 and E3 transitions among these levels.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2010

Status of the Bonn-Gatchina partial wave analysis

The Bonn-Gatchina partial wave formalism is extended to include a decomposition of t- and u-exchange amplitudes into individual partial waves. The multipole transition amplitudes for {gamma}p{yields}p{pi}{sup 0} and {gamma}p{yields}n{pi}+ are given and compared to results from other analyses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2011

Reactions on {sup 40}Ar involving solar neutrinos and neutrinos from core-collapsing supernovae

We calculated neutrino reactions on {sup 40}Ar for detecting core-collapsing supernovae (SNe) neutrinos. The nucleus was originally exploited to identify the solar neutrino emitted from {sup 8}B produced in pp chains on the Sun. With the higher energy neutrinos emitted from the core-collapsing SNe, contributions from higher multipole transitions, as well as from the Gamow-Teller and Fermi transitions, are shown to be important ingredients for understanding reactions induced by the SN neutrino. Moreover, higher excited states beyond a few states known in experiment diminish significantly the expected large difference between the cross sections of {nu}{sub e} and {nu}-bar{sub e} reactions on {sup 40}Ar, which difference is anticipated because of the large Qvalue in the {nu}-bar{sub e} reaction. The reduction is shown to lead to a difference between them of only a factor of 2.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2010

Neutrino-Induced Reactions for Nucleosynthesis by the Quasi-particle RPA

We calculated neutrino-induced reactions in the energy range below the quasi-elastic region for nuclei of astrophysical importance. Neutrino-induced reactions have been found to be important for the nucleosynthesis in core collapsing supernovae explosions because expected neutrino flux is sufficiently high enough to excite many relevant nuclei in spite of small cross sections of the weak interaction. Our calculations are carried out with the Quasi-particle Random Phase Approximation (QRPA), which successfully described the nuclear beta decays of relevant nuclei by taking neutron-proton pairing as well as neutron-neutron and proton-proton pairing correlations into account. To describe neutrino-nucleus reactions, general multipole transitions by the weak interaction with finite momentum transfers are considered for neutral and charged current reactions. Both reactions are described in a theoretical framework. Our results are shown to well reproduce the sparse experimental data and extended further for neutrino reactions on various nuclear targets. Parts of the results are reported in this talk.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2012

Charge exchange reactions and applications to astrophysics

Neutrino-induced reactions have been known to play important roles as the neutrino process on the nucleosynthesis in core collapsing supernovae (SNe) explosions because expected neutrino flux and energy are sufficiently high enough to excite many relevant nuclei in spite of small cross sections of the weak interaction. However, we do not have enough data for the neutrino reaction to be exploited in the network calculation. Only a sparse data in the relevant energy range is known, in specific, for {sup 12}C. Therefore we have to rely on theoretical estimation of the reaction, which has two different modes, charge current (CC) and neutral current (NC). In particular, CC reactions are closely related to charge exchange reactions (CEXRs) which are feasible in the experiment, such as, (p,n) or (n,p) reactions. These CEXRs are usually dominated by the Gamow-Teller (GT) transition in the lower energy region. In this respect, any theoretical approaches for the neutrino reaction should be investigated for the CEXR because we have and expect more useful experimental data. After confirming our models to the GT strength deduced from the CEXR, we calculated neutrino-induced reactions in the energy range below the quasielastic region for nuclei of astrophysical importance. Our calculations are carried out with the Quasi-particle Random Phase Approximation (QRPA), which successfully described the nuclear beta decays of relevant nuclei. To describe neutrino-nucleus reactions, general multipole transitions by the weak interaction are considered for CC and NC reactions. Both reactions are described in a theoretical framework. Our results are shown to well reproduce the data from CEXRs and the sparse experimental data related to the neutrino-induced reaction, and further extended for neutrino reactions on various nuclear targets. Parts of the results are reported in this talk.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Second Linear Response Theory and the Analytic Calculation of Excited-State Properties

We present a method based on second linear response time-dependent density func- tional theory (TDDFT) to calculate permanent and transition multipoles of excited states, which are required to compute excited-state absorption/emission spectra, multi- photon optical processes, among others. In previous work, we examined computations based on second linear response theory in which linear response TDDFT was employed twice. In contrast, the present methodology only requires information from a single linear response calculation to compute the excited-state properties. These are eval- uated analytically through various algebraic operations involving electron repulsion integrals and excitation vectors. The present derivation focuses on full many-body wave functions instead of single orbitals, as in our previous approach. Here, we test the proposed method by applying it to several diatomic and triatomic molecules. This shows that the computed excited-state dipoles are consistent with respect to reference equation-of-motion coupled cluster calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2011

ASSIGNMENT OF 5069 A DIFFUSE INTERSTELLAR BAND TO HC{sub 4}H{sup +}: DISAGREEMENT WITH LABORATORY ABSORPTION BAND

Krelowski et al. have reported a weak, diffuse interstellar band (DIB) at 5069 A which appears to match in both mid-wavelength and width the A {sup 2}{Pi}{sub u}-X {sup 2}{Pi}{sub g} gas-phase origin absorption band of HC{sub 4}H{sup +}. Here, we present laboratory rotational profiles at low temperatures which are then compared with the 5069 A DIB using {approx}0.1 and 0.3 A line widths based on a realistic line-of-sight interstellar velocity dispersion. Neither the band shape nor the wavelength of the maximum absorption match, which makes the association of the 5069 A DIB with HC{sub 4}H{sup +} unlikely. The magnetic dipole transition X {sup 2}{Pi}{sub g} {Omega} = 1/2{yields}X {sup 2}{Pi}{sub g} {Omega} = 3/2 within the ground electronic state which competes with collisional excitation is also considered. In addition, we present the laboratory gas-phase spectrum of the A {sup 2}{Pi}{sub u}-X {sup 2}{Pi}{sub g} transition of HC{sub 4}H{sup +} measured at 25 K in an ion trap and identify further absorption bands at shorter wavelengths for comparison with future DIB data.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Spin-forbidden radiative decay rates from the 3 {sup 3}P{sub 1,2} and 3 {sup 1}P{sub 1} states of helium

We have calculated atomic helium spontaneous decay rates and absorption oscillator strengths for the spin-forbidden transitions from 3 {sup 3}P{sub 1,2} and 3 {sup 1}P{sub 1} to all lower {sup 1}S{sub 0} and {sup 3}S{sub 1} states. In particular we found A{sub 10}=44.33(4) s{sup -1} for the E1 transition 3 {sup 3}P{sub 1}-1 {sup 1}S{sub 0} and 0.1147(1) s{sup -1} for the M2 transition 3 {sup 3}P{sub 2}-1 {sup 1}S{sub 0}.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Theoretical level energies and transition data for ion W{sup 28+}

The ab initio quasirelativistic approach was used to derive transition data for Pd-like tungsten W{sup 28+} ion. This approach was developed specifically for the calculation of spectral parameters for highly charged ions. The relativistic effects were taken into account in the Breit–Pauli approximation. The configuration interaction method was applied to include electron correlation effects. The ground configuration 4p{sup 6}4d{sup 10} and the lowest excited 4p{sup 6}4d{sup 9}4f were considered. The calculations for W{sup 28+} were performed with different sets of interacting configurations in order to evaluate reliability and accuracy of produced results. Level energies, radiative lifetimes τ, Landé g-factors were determined for the excited configuration 4p{sup 6}4d{sup 9}4f of W{sup 28+} levels. The radiative transition wavelengths λ and emission transition probabilities A for the electric and magnetic transitions of various multipole order (up to E5 and M4) among the levels of these two configurations were produced. The uncertainties of computed spectroscopic parameters were evaluated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Energies, E1, M1, and E2 transition rates, hyperfine structures, and Lande g{sub J} factors for states of the 2s{sup 2}2p{sup 2}, 2s2p{sup 3}, and 2p{sup 4} configurations in carbon-like ions between F IV and Ni XXIII

Energies, electric dipole, magnetic dipole, and electric quadrupole transition rates, hyperfine structures, and Lande g{sub J} factors from relativistic configuration interaction calculations are reported for the states of the (1s{sup 2})2s{sup 2}2p{sup 2}, 2s2p{sup 3}, and 2p{sup 4} configurations in all carbon-like ions between F IV and Ni XXIII. Valence, core-valence, and core-core correlation effects were accounted for through single/double-excitation-multireference expansions to increasing sets of active orbitals. The calculated energy levels generally agree within a few hundred cm{sup -1} with the experimentally compiled results, and the Babushkin (length), and Coulomb (velocity) forms of transition rates agree within less than 1% for a majority of the allowed transitions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Spectroscopy of diagnostically important magnetic-dipole lines in highly charged 3d{sup n} ions of tungsten

An electron-beam ion trap (EBIT) is used to measure extreme ultraviolet spectra between 10 and 25 nm from highly charged ions of tungsten with an open 3d shell (W xlviii through W lvi). We found that almost all strong lines are due to the forbidden magnetic-dipole (M1) transitions within 3d{sup n} ground configurations. A total of 37 previously unknown spectral lines are identified using detailed collisional-radiative (CR) modeling of the EBIT spectra. A level-merging scheme for compactification of rate equations is described. The CR simulations for Maxwellian plasmas show that several line ratios involving these M1 lines can be used to reliably diagnose temperature and density in hot fusion devices.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2010

Multipole mixtures in gamma transitions from the reaction {sup 92}Mo(n, n'{gamma})

Angular distributions of gamma rays from the reaction {sup 92}Mo(n,n'{gamma}) with respect to the axis of the fast-reactor-neutron beam were measured. The known scheme of levels and gamma transitions in {sup 92}Mo was supplemented. The multipole-mixture parameters {delta} were found for gamma transitions between levels. The relationship between the parameters {delta} and the structure of excited states of {sup 92}Mo is discussed.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Magnetic trap for thulium atoms

For the first time ultra-cold thulium atoms were trapped in a magnetic quadrupole trap with a small field gradient (20 Gs cm{sup -1}). The atoms were loaded from a cloud containing 4x10{sup 5} atoms that were preliminarily cooled in a magneto-optical trap to the sub-Doppler temperature of 80 {mu}K. As many as 4x10{sup 4} atoms were trapped in the magnetic trap at the temperature of 40 {mu}K. By the character of trap population decay the lifetime of atoms was determined (0.5 s) and an upper estimate was obtained for the rate constant of inelastic binary collisions for spin-polarised thulium atoms in the ground state (g{sub in} < 10{sup -11}cm{sup 3} s{sup -1}). (magnetic traps)

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

DETECTION OF NONPOLAR IONS IN {sup 2}{Pi}{sub 3/2} STATES BY RADIOASTRONOMY VIA MAGNETIC DIPOLE TRANSITIONS

The possibility of magnetic dipole-induced pure rotational transitions in the interstellar medium is investi- gated for symmetric Hund's case (a) linear molecules, such as H-C{identical_to}C-H{sup +} (X-tilde {sup 2}{Pi}{sub 3/2u}), CO{sub 2} {sup +} (X-tilde {sup 2}{Pi}{sub 3/2g}), H-C{identical_to}C-C{identical_to}C-H{sup +} (X-tilde {sup 2}{Pi}{sub 3/2g}), and N{sub 3} (X-tilde {sup 2}{Pi}{sub 3/2g}). These species lack an electric dipole moment and therefore cannot undergo pure rotational electric dipole transitions. These species can undergo pure rotational transitions via the parallel component of the magnetic dipole operator, however. The transition moments and Einstein A coefficients for the allowed pure rotational transitions are derived for a general Hund's case (a) linear molecule, and tabulated for the examples of H-C{identical_to}C-H{sup +} ({sup 2}{Pi}{sub 3/2u}) and H-C{identical_to}C-C{identical_to}C-H{sup +} ({sup 2}{Pi}{sub 3/2g}). It is found that the rates of emission are comparable to collision rates in interstellar clouds, suggesting that this decay mechanism may be important in simulating rotational population distributions in diffuse clouds and for detecting these molecules by radioastronomy. Expected line positions for the magnetic dipole-allowed R{sub ef} (J) and R{sub fe} (J) transitions of H-C{identical_to}C-H{sup +} ({sup 2}{Pi}{sub 3/2u}), H-C{identical_to}C-C{identical_to}C-H{sup +} ({sup 2}{Pi}{sub 3/2g}), CO{sub 2}{sup +} ({sup 2}{Pi}{sub 3/2g}), and N{sub 3} ({sup 2}{Pi}{sub 3/2g}) are tabulated to assist in their observation by radioastronomy or in the laboratory.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Magnetic dipole transitions in the hydrogen molecule

In homonuclear molecules, such as H{sub 2}, the electric dipole transitions are strongly forbidden, and the transitions between rovibrational states are of the electric quadrupole type. We show, however, that magnetic dipole transitions also take place, although they are significantly weaker. We evaluate the probabilities of such transitions between several of the lowest rotational states and compare them with those of the corresponding electric quadrupole transitions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗