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Physical Review Letters

Boundary Conditions for the Pauli Equation: Application to Photodetachment of Cs −

Cristian Bahrim, I. I. Fabrikant, Uwe Thumm

Published Aug 31, 2001• 8 citations
Publisher

Abstract

We formulate the boundary conditions near the atomic nucleus for solving the Pauli equation, based on the analytic solution of the Dirac equation for a Coulomb potential. We then integrate the Pauli equation using an effective potential that is adjusted to reproduce Dirac R-matrix scattering phase shifts, and find the (3)P(o)(1) resonance contribution to the photodetachment cross section of Cs-. Our photodetachment cross sections agree with recent experiments by Scheer et al. [Phys. Rev. Lett. 80, 684 (1998)] after tuning the resonance position by 2.4 meV. We also provide angle-differential photodetachment cross sections and the corresponding asymmetry parameter beta near the Cs(6s) threshold.

DOI
10.1103/physrevlett.87.123003

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Physical Review A•Jan 18, 2000•72 citations
We formulate the boundary conditions near the atomic nucleus for solving the Pauli equation, based on the analytic solution of the Dirac equation for a Coulomb potential. We then integrate the Pauli equation using an effective potential that is adjusted to reproduce Dirac R-matrix scattering phase shifts, and find the (3)P(o)(1) resonance contribution to the photodetachment cross section of Cs-. Our photodetachment cross sections agree with recent experiments by Scheer et al. [Phys. Rev. Lett. 80, 684 (1998)] after tuning the resonance position by 2.4 meV. We also provide angle-differential photodetachment cross sections and the corresponding asymmetry parameter beta near the Cs(6s) threshold.
We calculate near-threshold photodetachment cross sections for ${\mathrm{Rb}}^{\ensuremath{-}},$ ${\mathrm{Cs}}^{\ensuremath{-}},$ and ${\mathrm{Fr}}^{\ensuremath{-}}$ using the Pauli equation method with a model potential describing the effective electron-atom interaction. Parameters of the model potential are fitted to reproduce ab initio scattering phase shifts obtained from Dirac R-matrix calculations. Special care is taken to formulate the boundary conditions near the atomic nucleus for solving the Pauli equation, based on the analytic solution of the Dirac equation for a Coulomb potential. We find a 3P1o{}^{3}{P}_{1}^{o}3P1o​ resonance contribution to the photodetachment cross section of ${\mathrm{Rb}}^{\ensuremath{-}},$ ${\mathrm{Cs}}^{\ensuremath{-}},$ and ${\mathrm{Fr}}^{\ensuremath{-}}$ ions. Our calculated total photodetachment cross sections for Cs agree with experiments after tuning the resonance position by 2.4 meV. For ${\mathrm{Rb}}^{\ensuremath{-}}$ and ${\mathrm{Fr}}^{\ensuremath{-}}$ the resonance contribution is much smaller than for Cs. We therefore also provide angle-differential cross sections and asymmetry parameters which are much more sensitive to the resonant contribution than total cross sections.
We calculated near-threshold photodetachment cross sections for ${\mathrm{Cs}}^{\ensuremath{-}}$ in the presence of a dc electric field using three different approaches: the frame-transformation method with and without rescattering effects and the Kirchhoff-integral approach. Radial wave functions for the electronic motion were obtained using the Pauli equation method with a model potential describing the effective electron-atom interaction. Our results demonstrate the inadequacy of the frame-transformation method in the 3P{}^{3}P3P resonance region even for weak fields (E<10kV/cm).(E<10\mathrm{k}\mathrm{V}/\mathrm{c}\mathrm{m}).(E<10kV/cm). We show that the triplet and singlet contributions to the total cross section can be manipulated by varying the external electric field. This can enhance spin-orbit effects in the photodetachment process and create more favorable conditions in the experiment for the observation of the lowest 3P{}^{3}P3P resonance in ${\mathrm{Cs}}^{\ensuremath{-}}.$
We have measured the near-threshold cross sections for the photodetachment of ${\mathrm{Li}}^{\ensuremath{-}}$ into the ${e}^{\ensuremath{-}}(ks,d)\text{\ensuremath{-}}\mathrm{Li}(2{p}_{1∕2})$, ${e}^{\ensuremath{-}}(ks,d)\text{\ensuremath{-}}\mathrm{Li}(3p)$, ${e}^{\ensuremath{-}}(kp)\text{\ensuremath{-}}\mathrm{Li}(3s)$, and ${e}^{\ensuremath{-}}(kp)\text{\ensuremath{-}}\mathrm{Li}(4s)$ continuum channels and the photodetachment of ${\mathrm{K}}^{\ensuremath{-}}$ into the ${e}^{\ensuremath{-}}(ks,d)\text{\ensuremath{-}}\mathrm{K}(4{p}_{3∕2})$ continuum channel. The data was analyzed using both a top-of-barrier model and a modified effective range theory. Both approaches explicitly take into account the significant polarization potential in the final continuum channels. The study involving both experiment and theory enabled us to investigate the effect of the polarization on near-threshold photodetachment. Furthermore, since photodetachment and electron scattering are related in the half-collision concept, we were able to determine low-energy electron scattering quantities such as phase shifts, elastic cross sections, and sss wave scattering lengths for electron scattering on excited Li and K atoms. The results allowed us to predict a virtual state in the ${e}^{\ensuremath{-}}(ks)\text{\ensuremath{-}}\mathrm{Li}(3p)$ system.
In a recent experiment, Lindahl et al. ( Lindahl A. O. et al. , Phys. Rev. Lett. , 108 (2012) 033004) observed a new threshold behavior in the photodetachment of the potassium negative ion when the residual atom is left in the state. Unfortunately the resonance close to threshold made it more difficult to apply the semi-classical model that was developed to describe the threshold behavior. In this paper we present a study of the threshold behavior of the partial cross-section in the photodetachment of the sodium negative ion. The experiment was conducted using a collinear beams apparatus where the detection was performed using a resonance ionization scheme. We observe the same threshold behavior as in the previous experiment, but without any obfuscating resonance. The model derived in the previous paper is found to fit the observed cross-section up to 35 meV above threshold. The present experiment clearly demonstrates the threshold behaviour for the fundamental process of a free electron moving in the field of an atom with a large negative polarizability.
A three-state and a six-state close-coupling approximation have been employed to investigate the e − -Ps scattering below the first excitation threshold of the Ps atom. Present s - and p -wave phase shifts and total cross-sections are compared with the corresponding predictions of Ward et al. ( J. Phys. B , 20 (1987) 127). All the Feshbach resonances below the n = 2 threshold, including 3 S e and 3 P e resonances as predicted by Ho ( Phys. Lett. A , 120 (1984) 348 and Phys. Rev. A , 60 (1999) 2834), have been obtained.
Our Dirac R-matrix calculations suggest that none of the heavy alkali-metal negative ions, Rb, Cs, and Fr, has an excited bound state. Their lowest excited state appears to be a multiplet of 3PJo{}^{3}{P}_{J}^{o}3PJo​-shape resonances, the J=1J=1J=1 component of which was recently observed in photodetachment experiments on ${\mathrm{Cs}}^{\ensuremath{-}}.$ We analyze these 3PJo{}^{3}{P}_{J}^{o}3PJo​ and the 3Se{}^{3}{S}^{e}3Se excited negative ion states in partial and converged total scattering cross sections for slow electrons with incident kinetic energies below 120 meV. Our results are in excellent agreement with available experimental data. We also propose a new value for the electron affinity of Fr, provide the scattering length for electronic collisions with Rb, Cs, and Fr, and discuss the nuclear charge dependence of relativistic effects in the resonance profiles.