103 resultados para SHELL NANOCRYSTALS
Resumo:
The configuration-interaction method as implemented in the computer code CIV3 is used to determine energy levels, electric dipole radiative transition wavelengths, oscillator strengths and transition probabilities for inner-shell excitation of transitions in Fe XV and Fe XVI. Specifically, transitions are considered of the type 1s(2) 2s(2) 2p(6) 3s(2) -1s(2) 2s(2) 2p(5) 3l3l' 3l" (l, l' and l" = s,p or d) in FeXV and 1s(2) 2s(2) 2p(6) 3s- 1s(2) 2s(2) 2p(5) 3l3l' (l and l' = s,p or d) in FeXVI, using the relativistic Breit-Pauli approach. An assessment of the accuracy of the derived atomic data is performed.
Resumo:
Photoionization cross-sections out of the fine-structure levels (2S(2)2p(4) P-3(2,0,1)) of the O-like Fe ion Fe XIX have been reinvestigated. Data for photoionization out of each of these finestructure levels have been obtained, where the calculations have been performed with and without the inclusion of radiation damping on the resonance structure in order to assess the importance of this process. Recombination rate coefficients are determined using the Milne relation, for the case of an electron recombining with N-like Fe ions (Fe XX) in the ground state to form O-like Fe (Fe XIX) existing in each of the fine- structure ground-state levels. Recombination rates are presented over a temperature range similar to 4.0 less than or equal to log T-e less than or equal to 7.0, of importance to the modelling of X-ray emission plasmas.
Resumo:
Recent results for proton-argon total ionization cross sections [Kirchner Phys. Rev. Lett. 79, 1658 (1997)] show large disagreement between theory and experiment for energies below 80 keV. To address this problem we have employed a recently developed theoretical method with a more pragmatic approach to the charge screening both in the initial and final channels. The target is considered as a one-electron atom and the interactions between this active electron and remaining target electrons are treated by a model potential including both short- and long-range effects. In the final channel the usual product of two continuum distorted wave functions each associated with a distinct electron-nucleus interaction is used. New results in the present calculation show good agreement in total cross sections for the energy range 10-300 keV with the measurement of Rudd [Rev. Mod. Phys. 57, 965 (1985)].
Resumo:
Fixed-node diffusion Monte Carlo computations are used to determine the ground state energy and electron density for jellium spheres with up to N = 106 electrons and background densities corresponding to the electron gas parameter 1 less than or equal to r(s)less than or equal to5.62. We analyze the density and size dependence of the surface energy, and we extrapolate our data to the thermodynamic limit. The results agree well with the predictions of density functional computations using the local density approximation. In the case of N = 20, we extend our computation to higher densities and identify a transition between atomic- and jelliumlike nodal structures occurring at the background density corresponding to r(s)=0.13. In this case the local density approximation is unable to reproduce the changes in the correlation energy due to the discontinuous transition in the ground state nodal structure. We discuss the relevance of our results for nonlocal approximations to density functional theory.