Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Log inSign up
Challenges
Datasets
Workspaces
Papers
Discussions
Leaderboard
Blog
Job Board
Q3AS

© 2026 Aqora Quantum S.A.S.

TermsPrivacyLegal Notice

Physical Review A

Correlation-potential method for negative ions and electron scattering

V. A. Dzuba, G. F. Gribakin

Published Apr 1, 1994• 25 citations
Publisher

Abstract

The relativistic correlation-potential method was used to calculate binding energies and fine-structure intervals for Pd, Ba, and Yb negative ions and to investigate low-energy electron scattering by Yb, Hg, and Ra atoms. The results for the binding energies are the following: 540 meV for the 5s state of ${\mathrm{Pd}}^{\mathrm{\ensuremath{-}}}$, 190 and 133 meV for the 6${\mathit{p}}_{1/2}$ and 6${\mathit{p}}_{3/2}$ states of ${\mathrm{Ba}}^{\mathrm{\ensuremath{-}}}$, and 36 meV for the 6${\mathit{p}}_{1/2}$ state of the ${\mathrm{Yb}}^{\mathrm{\ensuremath{-}}}$. A number of prominent p and d resonances are revealed in the scattering phase-shift calculations. These p or d resonances lead to a phenomenon of 100% polarization of the scattered electron beam at appropriate electron energy and scattering angle. A criterion is proposed to measure the strength of the nonlocal correlation potential and to evaluate its ability to create a bound state: FG(r',r)\ensuremath{\Sigma}(r,r')dr dr'>1 is the necessary condition for the formation of a bound state. Here \ensuremath{\Sigma} is the correlation potential and G is the electron Green's function at zero energy.

DOI
10.1103/physreva.49.2483

Related papers

Fine structure of Ca− , Sr− , Ba− , and Ra− from the many-body theory calculation

V. A. Dzuba, G. F. Gribakin

Atomic many-body theory methods are used to calculate the fine structure of negative ions formed by binding a p electron into an open shell, ${\mathrm{Ca}}^{\mathrm{\ensuremath{-}}}$, ${\mathrm{Sr}}^{\mathrm{\ensuremath{-}}}$, ${\mathrm{Ba}}^{\mathrm{\ensuremath{-}}}$, and ${\mathrm{Ra}}^{\mathrm{\ensuremath{-}}}$. This binding is due to a strong correlation potential acting between the electron and the neutral atom. Comparison with experimental data shows that the second order many-body perturbation theory calculation overestimates the correlation potential by 10% to 15%. Scaling factors are introduced in the correlation potential to reproduce experimental binding energies of the lower ${\mathrm{p}}_{1\mathrm{/}2}$ components. This procedure yields fine-structure intervals in excellent agreement with experiment for ${\mathrm{Ca}}^{\mathrm{\ensuremath{-}}}$, ${\mathrm{Sr}}^{\mathrm{\ensuremath{-}}}$, and ${\mathrm{Ba}}^{\mathrm{\ensuremath{-}}}$, and allows us to predict that in ${\mathrm{Ra}}^{\mathrm{\ensuremath{-}}}$ the ${\mathrm{p}}_{1\mathrm{/}2}$ state is bound by 100 meV, and ${\mathrm{p}}_{3\mathrm{/}2}$ is a resonance at 16 meV in the continuum.

Physical Review A•Mar 1, 1997•17 citations

The resonance structures of electron interaction with Sr and Ba atoms: low-energy electron scattering and photodetachment of the negative ions

Jianmin Yuan

The resonance and near-threshold structures of low-energy electron interaction with Sr and Ba atoms have been investigated by carrying out respectively 11-state and 21-state close-coupling calculations within the R-matrix scheme. Part of the core–valence correlation is included by exciting one core electron to the valence orbitals. Results for the low-energy electron scattering and the photodetachment of the negative ions are presented. For Sr, the results show that there is a 2D shape resonance around 0.8 eV above the elastic scattering threshold and a remarkable structure just above the first 3Po excitation threshold. For Ba, two 2D shape resonances are predicted, just above the elastic scattering threshold and the 3D excitation threshold, respectively.

Journal of Physics B Atomic Molecular and Optical Physics•May 6, 2003•5 citations

Many-body calculation of negative ions using the Dyson equation

Larissa V. Chernysheva, G. F. Gribakin, V. K. Ivanov +1 more

A new method of calculating atomic negative ions is developed. It is based on the Dyson equation, and gives the binding energy and the wavefunction of the outer electron in the negative ion. The calculation for He - 1s2s2p 4 P is consistent with experiment. The photodetachment cross section for He - 4 P is calculated for the first time. The phaseshift for p-electron quartet scattering by He 1s2s 3 S is presented. Results for the first calculation of Pd - 4d 10 5s 2 S are reported.

Journal of Physics B Atomic Molecular and Optical Physics•Aug 14, 1988•117 citations

Modification of the method of polarized orbitals for electron-alkali-metal scattering: Application to e -Li

A. K. Bhatia, Aaron Temkin, A. Silver +1 more

The method of polarized orbitals is modified to treat low-energy scattering of electrons from highly polarizable systems, specifically alkali-metal atoms. The modification is carried out in the particular context of the $e$-Li system, but the procedure is general; it consists of modifying the polarized orbital, so that when used in the otherwise orthodox form of the method, it gives (i) the correct electron affinity of the negative ion (in this case ${\mathrm{Li}}^{\ensuremath{-}}$), (ii) the proper (i.e., Levinson-Swan) number of nodes of the associated zero-energy scattering orbital, and (iii) the correct polarizability. A procedure is devised whereby the scattering length can be calculated from the (known) electron affinity without solving the bound-state equation. Using this procedure we adduce a $^{1}S$ scattering length of $8.69{a}_{0}$. (The $^{3}S$ scattering length is $\ensuremath{-}9.22{a}_{0}$.) The above modifications can also be carried out in the (lesser) exchange adiabatic approximation. However, they lead to qualitatively incorrect $^{3}S$ phase shifts. The modified polarized-orbital phase shifts are qualitatively similar to close-coupling and elaborate variational calculations. Quantitative differences from the latter calculations, however, remain; they are manifested most noticeably in the very-low-energy total and differential spin-flip cross sections.

Physical Review A•Nov 1, 1978•30 citations

- low-lying shape resonance rather than a bound state

V. A. Dzuba, G. F. Gribakin

Strong evidence against stability of the negative ion of ytterbium is presented, and the prediction is made that the lowest negative ion state is a narrow shape resonance in the electron - atom continuum at 20 meV. These results are obtained from the many-body theory calculations with the electron - atom correlation potential appropriately scaled to reproduce the experimental data for the isoelectronic neutral Lu and . They are in agreement with the recent thorough experimental investigation of by the Aarhus group.

Journal of Physics B Atomic Molecular and Optical Physics•Jun 14, 1998•6 citations

Interaction of an alkaline-earth atom with an electron: scattering, negative ion and photodetachment

G. F. Gribakin, B. V. Gul'tsev, V. K. Ivanov +1 more

Three mutually related problems concerning the interaction of an electron with an alkaline-earth atom are examined. (i) The scattering problem: the phaseshifts for p-electron scattering by Ca, Sr and Ba are calculated. (ii) The negative ion problem: the wavefunction and the binding energy are obtained for the outer electron in Ca - 4s 2 4p, Sr - 5s 2 5p and Ba - 6s 2 6p ions. (iii) The photodetachment problem: the photodetachment cross sections are calculated for the outer electron in each of these ions. The most intriguing feature of these problems is the strong correlational potential, attracting the electron to the atom due to the large dipole polarizabilities of Ca, Sr and Ba. The calculations are performed by means of the Dyson equation of the many-body theory.

Journal of Physics B Atomic Molecular and Optical Physics•Dec 28, 1990•79 citations
The relativistic correlation-potential method was used to calculate binding energies and fine-structure intervals for Pd, Ba, and Yb negative ions and to investigate low-energy electron scattering by Yb, Hg, and Ra atoms. The results for the binding energies are the following: 540 meV for the 5s state of Pd\ensuremath−{\mathrm{Pd}}^{\mathrm{\ensuremath{-}}}Pd\ensuremath−, 190 and 133 meV for the 6p1/2{\mathit{p}}_{1/2}p1/2​ and 6p3/2{\mathit{p}}_{3/2}p3/2​ states of Ba\ensuremath−{\mathrm{Ba}}^{\mathrm{\ensuremath{-}}}Ba\ensuremath−, and 36 meV for the 6p1/2{\mathit{p}}_{1/2}p1/2​ state of the Yb\ensuremath−{\mathrm{Yb}}^{\mathrm{\ensuremath{-}}}Yb\ensuremath−. A number of prominent p and d resonances are revealed in the scattering phase-shift calculations. These p or d resonances lead to a phenomenon of 100% polarization of the scattered electron beam at appropriate electron energy and scattering angle. A criterion is proposed to measure the strength of the nonlocal correlation potential and to evaluate its ability to create a bound state: FG(r',r)\ensuremath{\Sigma}(r,r')dr dr'>1 is the necessary condition for the formation of a bound state. Here \ensuremath{\Sigma} is the correlation potential and G is the electron Green's function at zero energy.
Atomic many-body theory methods are used to calculate the fine structure of negative ions formed by binding a p electron into an open shell, ${\mathrm{Ca}}^{\mathrm{\ensuremath{-}}}$, ${\mathrm{Sr}}^{\mathrm{\ensuremath{-}}}$, ${\mathrm{Ba}}^{\mathrm{\ensuremath{-}}}$, and ${\mathrm{Ra}}^{\mathrm{\ensuremath{-}}}$. This binding is due to a strong correlation potential acting between the electron and the neutral atom. Comparison with experimental data shows that the second order many-body perturbation theory calculation overestimates the correlation potential by 10% to 15%. Scaling factors are introduced in the correlation potential to reproduce experimental binding energies of the lower p1/2{\mathrm{p}}_{1\mathrm{/}2}p1/2​ components. This procedure yields fine-structure intervals in excellent agreement with experiment for ${\mathrm{Ca}}^{\mathrm{\ensuremath{-}}}$, ${\mathrm{Sr}}^{\mathrm{\ensuremath{-}}}$, and ${\mathrm{Ba}}^{\mathrm{\ensuremath{-}}}$, and allows us to predict that in ${\mathrm{Ra}}^{\mathrm{\ensuremath{-}}}$ the p1/2{\mathrm{p}}_{1\mathrm{/}2}p1/2​ state is bound by 100 meV, and p3/2{\mathrm{p}}_{3\mathrm{/}2}p3/2​ is a resonance at 16 meV in the continuum.
The resonance and near-threshold structures of low-energy electron interaction with Sr and Ba atoms have been investigated by carrying out respectively 11-state and 21-state close-coupling calculations within the R-matrix scheme. Part of the core–valence correlation is included by exciting one core electron to the valence orbitals. Results for the low-energy electron scattering and the photodetachment of the negative ions are presented. For Sr, the results show that there is a 2D shape resonance around 0.8 eV above the elastic scattering threshold and a remarkable structure just above the first 3Po excitation threshold. For Ba, two 2D shape resonances are predicted, just above the elastic scattering threshold and the 3D excitation threshold, respectively.
The method of polarized orbitals is modified to treat low-energy scattering of electrons from highly polarizable systems, specifically alkali-metal atoms. The modification is carried out in the particular context of the eee-Li system, but the procedure is general; it consists of modifying the polarized orbital, so that when used in the otherwise orthodox form of the method, it gives (i) the correct electron affinity of the negative ion (in this case ${\mathrm{Li}}^{\ensuremath{-}}$), (ii) the proper (i.e., Levinson-Swan) number of nodes of the associated zero-energy scattering orbital, and (iii) the correct polarizability. A procedure is devised whereby the scattering length can be calculated from the (known) electron affinity without solving the bound-state equation. Using this procedure we adduce a 1S^{1}S1S scattering length of 8.69a08.69{a}_{0}8.69a0​. (The 3S^{3}S3S scattering length is $\ensuremath{-}9.22{a}_{0}$.) The above modifications can also be carried out in the (lesser) exchange adiabatic approximation. However, they lead to qualitatively incorrect 3S^{3}S3S phase shifts. The modified polarized-orbital phase shifts are qualitatively similar to close-coupling and elaborate variational calculations. Quantitative differences from the latter calculations, however, remain; they are manifested most noticeably in the very-low-energy total and differential spin-flip cross sections.
Strong evidence against stability of the negative ion of ytterbium is presented, and the prediction is made that the lowest negative ion state is a narrow shape resonance in the electron - atom continuum at 20 meV. These results are obtained from the many-body theory calculations with the electron - atom correlation potential appropriately scaled to reproduce the experimental data for the isoelectronic neutral Lu and . They are in agreement with the recent thorough experimental investigation of by the Aarhus group.
Three mutually related problems concerning the interaction of an electron with an alkaline-earth atom are examined. (i) The scattering problem: the phaseshifts for p-electron scattering by Ca, Sr and Ba are calculated. (ii) The negative ion problem: the wavefunction and the binding energy are obtained for the outer electron in Ca - 4s 2 4p, Sr - 5s 2 5p and Ba - 6s 2 6p ions. (iii) The photodetachment problem: the photodetachment cross sections are calculated for the outer electron in each of these ions. The most intriguing feature of these problems is the strong correlational potential, attracting the electron to the atom due to the large dipole polarizabilities of Ca, Sr and Ba. The calculations are performed by means of the Dyson equation of the many-body theory.