Search NASA⌕ Search

SEARCH · Search NASA

Results for “MULTIPOLE TRANSITIONS”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

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 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 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

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

Photon scattering with the Lorentz integral transform method

The application of the Lorentz integral transform (LIT) method to photon scattering off nuclei is presented in general. As an example, elastic photon scattering off the deuteron in the unretarded dipole approximation is considered using the LIT method. The inversion of the integral transform is discussed in detail, paying particular attention to the high-energy contributions in the resonance term. The obtained E1 polarizabilities are compared to results from the literature. The corresponding theoretical cross section is confronted with experimental results confirming, as already known from previous studies, that the E1 contribution is the most important one at lower energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Splitting of the Pygmy Dipole Resonance

In recent years investigations have been made to study the electric Pygmy Dipole Resonance (PDR) systematically, mainly in semi-magic nuclei. For this purpose the well understood high resolution ({gamma},{gamma}') photon scattering method is used. In complementary ({alpha},{alpha}'{gamma}) coincidence experiments at E{sub {alpha}} = 136 MeV a similar {gamma}-energy resolution and a high selectivity to E1 transitions can be obtained at the Big-Bite Spectrometer (BBS) at KVI, Groningen. In comparison to the ({gamma},{gamma}') method a structural splitting of the PDR is observed in the N = 82 nuclei {sup 138}Ba and {sup 140}Ce and in the Z = 50 nucleus {sup 124}Sn. The low energy part is excited in ({gamma},{gamma}') as well as in ({alpha},{alpha}'{gamma}) while the high energy part is observed in ({gamma},{gamma}') only. The experimental results together with theoretical QPM and RQTBA calculations on {sup 124}Sn which are able to reproduce the splitting of the PDR qualitatively are presented. The low-lying group of J{sup {pi}} = 1{sup -} states seem to represent the more isoscalar neutron-skin oscillation of the PDR while the energetically higher-lying states seemingly belong to the transitional region between the PDR and the isovector Giant Dipole Resonance (IVGDR).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Correlation and relativistic effects in actinide ions

Wavelengths, line strengths, and transition rates are calculated for the multipole (E1, M1, E2, M2, E3, and M3) transitions between the excited 6s{sup 2}6p{sup 5}nl and 6s6p{sup 6}nl states and the ground 6s{sup 2}6p{sup 6} state in Ac{sup 3+}, Th{sup 4+}, and U{sup 6+} Rn-like ions. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate energies and transition rates for multipole transitions in these hole-particle systems. The RMBPT method agrees with multiconfigurational Dirac-Fock (MCDF) calculations in lowest order, includes all second-order correlation corrections, and includes corrections from negative-energy states. The calculations start from a [Xe]4f{sup 14}5d{sup 10}6s{sup 2}6p{sup 6} Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate-coupling coefficients, and second-order RMBPT is used to determine the matrix elements. Evaluated multipole matrix elements for transitions from excited states to the ground states are used to determine the line strengths, transition rates, and multipole polarizabilities. This work provides a number of yet unmeasured properties of these actinide ions for various applications and for benchmark tests of theory and experiment.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2011

Parity splitting and E1/E2 branching in the alternating parity band of {sup 240}Pu from two-center octupole wave functions using supersymmetric quantum mechanics

An interpretation is suggested of the recently published experimental data on the alternating parity bands in {sup 240}Pu. The interpretation is based on the assumption that the main role in the description of the properties of the alternating parity bands plays the octupole mode which preserves the axial symmetry. The mathematical technique of the supersymmetric quantum mechanics is used for the realization of the model with the two-center octupole wave functions. A good description of the parity splitting and of the ratio of the dipole and quadrupole transitional moments is obtained for the first two bands.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Low-lying structure of neutron-rich Zn and Ga isotopes

Low-lying states of even-even Zn and odd-mass Ga nuclei with neutron numbers between 42 and 50 have been calculated within the framework of the SDG-pair approximation of the nuclear shell model. We employ a monopole and quadrupole pairing plus quadrupole-quadrupole interaction with optimized parameters, which are assumed to be constants for nuclei with the same proton number or neutron number. We calculate low-lying level schemes, electric quadrupole and magnetic dipole moments, and E2 and M1 transition rates. Reasonable agreement is achieved between the calculated results and experimental data. Dominant configurations in the ground states of odd-mass Ga nuclei are discussed in terms of pair correlations. The weak-coupling picture for some states of odd-mass Ga nuclei is studied.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Analytical transition-matrix treatment of electric multipole polarizabilities of hydrogen-like atoms

The direct transition-matrix approach to the description of the electric polarization of the quantum bound system of particles is used to determine the electric multipole polarizabilities of the hydrogen-like atoms. It is shown that in the case of the bound system formed by the Coulomb interaction the corresponding inhomogeneous integral equation determining an off-shell scattering function, which consistently describes virtual multiple scattering, can be solved exactly analytically for all electric multipole polarizabilities. Our method allows to reproduce the known Dalgarno–Lewis formula for electric multipole polarizabilities of the hydrogen atom in the ground state and can also be applied to determine the polarizability of the atom in excited bound states. - Highlights: • A new description for electric polarization of hydrogen-like atoms. • Expression for multipole polarizabilities in terms of off-shell scattering functions. • Derivation of integral equation determining the off-shell scattering function. • Rigorous analytic solving the integral equations both for ground and excited states. • Study of contributions of virtual multiple scattering to electric polarizabilities.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2011

Low-lying dipole response in the stable {sup 40,48}Ca nuclei with the second random-phase approximation

Low-energy dipole excitations are analyzed for the stable isotopes {sup 40}Ca and {sup 48}Ca in the framework of the Skyrme-second random-phase approximation. The corresponding random-phase approximation calculations provide a negligible strength distribution for both nuclei in the energy region from 5 to 10 MeV. The inclusion and the coupling of 2 particle-2 hole configurations in the second random-phase approximation lead to an appreciable dipole response at low energies for the neutron-rich nucleus {sup 48}Ca. The presence of a neutron skin in the nucleus {sup 48}Ca would suggest the interpretation of the low-lying response in terms of a pygmy excitation. The composition of the excitation modes (content of 1 particle-1 hole and 2 particle-2 hole configurations), their transition densities and their collectivity (number and coherence of the different contributions) are analyzed. This analysis indicates that, in general, these excitations cannot be clearly interpreted in terms of oscillations of the neutron skin against the core with the exception of the peak with the largest B(E1) value, which is located at 9.09 MeV. For this peak the neutron transition density dominates and the neutron and proton transition densities oscillate out of phase in the internal part of the nucleus leading to a strong mixing of isoscalar and isovector components. Therefore, this state shows some features usually associated to pygmy resonances.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Charge radii and ground state structure of lithium isotopes: Experiment and theory reexamined

Changes in the nuclear charge radii of lithium isotopes were determined using a combination of precise isotope shift measurements and theoretical atomic structure calculations. We discuss the choice of the reference isotope for absolute charge radii determinations in the lithium isotopic chain and report a new value for the charge radius of {sup 6}Li, based on the analysis of the world scattering data. A summary of the lithium nuclear charge radii obtained in this way is presented. Additionally, new calculations in fermionic molecular dynamics for the lithium isotopes were performed. We summarize the status of the lithium nuclear charge radii, magnetic dipole and electric quadrupole moments from experimental investigations and compare them to the results of various microscopic and three-body nuclear models.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

Fragmentation and systematics of the pygmy dipole resonance in the stable N=82 isotones

The low-lying electric dipole (E1) strength in the semimagic nucleus {sup 136}Xe has been measured, which finalizes the systematic survey to investigate the so-called pygmy dipole resonance (PDR) in all stable even N=82 isotones with the method of nuclear resonance fluorescence using real photons in the entrance channel. In all cases, a fragmented resonance-like structure of E1 strength is observed in the energy region 5-8 MeV. An analysis of the fragmentation of the strength reveals that the degree of fragmentation decreases toward the proton-deficient isotones, while the total integrated strength increases, indicating a dependence of the total strength on the neutron-to-proton ratio. The experimental results are compared to microscopic calculations within the quasiparticle phonon model. The calculation includes complex configurations of up to three phonons and is able to reproduce also the fragmentation of the E1 strength, which allows us to draw conclusions on the damping of the PDR. Calculations and experimental data are in good agreement on the degree of fragmentation and also on the integrated strength if the sensitivity limit of the experiments is taken into account.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2011

ACCURATE ESTIMATIONS OF STELLAR AND INTERSTELLAR TRANSITION LINES OF TRIPLY IONIZED GERMANIUM

In this paper, we report on weighted oscillator strengths of E1 transitions and transition probabilities of E2 transitions among different low-lying states of triply ionized germanium using highly correlated relativistic coupled cluster (RCC) method. Due to the abundance of Ge IV in the solar system, planetary nebulae, white dwarf stars, etc., the study of such transitions is important from an astrophysical point of view. The weighted oscillator strengths of E1 transitions are presented in length and velocity gauge forms to check the accuracy of the calculations. We find excellent agreement between calculated and experimental excitation energies. Oscillator strengths of few transitions, wherever studied in the literature via other theoretical and experimental approaches, are compared with our RCC calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗