Photoionization of atomic barium including effects of relaxation and polarization

Kutzner, Mickey; Altun, Zikri; Kelly, Hugh P.

doi:10.1103/physreva.41.3612

Cited by 31 publications

(34 citation statements)

References 34 publications

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“…In this work we predict the effects of the C60 carbon cage on the resonance absorption of 4d electrons of Xe and Ba atoms. TD-DFT [11,12] and other type of calculations [13] Fig. 4, but for Ba.…”

Section: Resultsmentioning

confidence: 99%

Photoabsorption of atoms insideC60

1993

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Section: Resultsmentioning

confidence: 99%

Photoabsorption of atoms insideC60

1993

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“…The outer 6s 2 subshell of Ba is very strongly mixed with 6p 2 and 5d 2 , and hence single-particle calculations, e.g., Hartree-Fock and Dirac-Hartree-Fock, of the ground state are inadequate. Theoretical studies of atomic barium have been done using Hartree-Fock (HF) wavefunctions, both with and without relaxation, by Kelly et al, [4], the Random Phase Approximation with Exchange (RPAE) [1], the Relativistic Random Phase Approximation (RRPA) [12], RRPA with relaxation (RRPA-R) [2] and Many-Body Perturbation Theory (MBPT) [3]. Kutzner et al [3] have reported photoionization cross sections and angular distribution asymmetry parameters for inner and outer subshells of barium including relaxation and polarization effects using MBPT.…”

Section: Various Theoretical and Experimental Photoionization Studiesmentioning

confidence: 99%

“…The study of the photoionization atomic barium subshells has interested many over the last few decades [1][2][3][4][5][6][7][8][9]. Barium is an interesting many-body system to examine the combined effects of relativistic and correlation interactions since (a) it is a high-Z system so that relativistic (primarily spin-orbit) interactions play an important role, (b) the outer 6s 2 subshell is known to be highly correlated, (c) the large photoionization cross section of the inner 4d subshell of barium, which undergoes a delayed maxima (shape resonance), strongly affects other nearby subshell cross sections via correlation in the form of interchannel coupling, and (d) sufficient experimental data [5][6][7][8] are available for atomic barium, with which theoretical results can be compared and assessed.…”

Section: Introductionmentioning

confidence: 99%

Photoionization of atomic barium subshells in the4dthreshold region using the relativistic multiconfiguration Tamm-Dancoff approximation

2017

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Photoionization cross sections and photoelectron angular distribution asymmetry parameters are calculated for the 4d 10 , 5s 2 , 5p 6 and 6s 2 subshells of atomic barium as a test of the relativistic multiconfiguration Tamm-Dancoff (RMCTD) method. The shape resonance present in the near-threshold region of the 4d subshell is studied in detail in the 4d photoionization along with the 5s, 5p and 6s subshells in the region of the 4d thresholds, as the 4d shape resonance strongly influences these subshells in its vicinity. The results are compared with available experiment and other many-body theoretical results in an effort to assess the capabilities of the RMCTD methodology. The electron correlations addressed in the RMCTD method give relatively good agreement with the experimental data, indicating that the important many-body correlations are included correctly.

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“…Inclusion of relaxation or multiple excitation is dif5cult ab iui]io in the ordinary RPA although extensions of RPA that account for these processes in somewhat phenomenological way have been worked out [4,5]. In contrast it has been shown by Kutzner and co-workers [5] and Altun, I&utzner, and Iwelly [6) using many-body perturbation theory, and by Tulkki [7], using the multichannel multiconfiguration Dirac-Fock method (MMCDF), that inclusion of relaxation is necessary for an accurate evaluation of valence-shell photoionization cross sections.…”

Section: Introductionmentioning

confidence: 99%

Krypton 4p, 4s, and 3dpartial photoionization cross sections below a photon energy of 260 eV

Tulkki

Aksela

et al. 1992

Phys. Rev. A

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The photoionization of krypton 4p, 4s, and 3d subshells has been studied theoretically from the 4p threshold and experimentally from the 3d threshold up to a photon energy of 260 eV. In converting the measured count rates of the 4p, 4s, and 3d main photoelectron lines into partial cross sections, we have used recent photoion yield measurements to estimate the contribution of multiple-excitation processes to the total photoabsorption cross section. Theoretical partial cross sections and angular asymmetry parameters have been calculated using the multichannel Dirac-Fock method. Eighteen leading single-excitation channels related to the 4p, 4s, 3d, and 3p hole configurations of the final ionic state were included. Relaxation was taken into account by using separately optimized initialand final-state orbitals and by including all the resulting overlap integrals in the transition amplitudes. The relaxation eKect was found to depend strongly on the photon energy in the near-threshold regions. For the 3d subshell the relaxation reduces the 3d cross section by 35 -40% at the maximum, whereas it is less significant for the 4p and 4s cross sections.PACS number(s): 32.80.Fb

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Photoionization of atomic barium including effects of relaxation and polarization

Cited by 31 publications

References 34 publications

Photoabsorption of atoms insideC60

Photoabsorption of atoms insideC60

Photoionization of atomic barium subshells in the4dthreshold region using the relativistic multiconfiguration Tamm-Dancoff approximation

Krypton 4p, 4s, and 3dpartial photoionization cross sections below a photon energy of 260 eV

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