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Journal of Physics B Atomic and Molecular Physics

Simplified model for the scattering of zero energy electrons by helium atoms

S. K. Houston

Published Jan 1, 1973• 3 citations
Publisher

Abstract

A local effective potential, H ex has been used to account for electron exchange, together with a model hamiltonian for the helium atom in Kohn's variational approximation to the electron helium scattering length, a. H ex was chosen to give agreement with the Born-exchange and static-exchange approximations. Correlation was introduced in the 84 term that trial function by using interelectronic coordinates. The method provides an upper bound to the 'model' scattering length and the value of 1.16a 0 was obtained in good agreement with more elaborate calculations and with experiment.

DOI
10.1088/0022-3700/6/1/014

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A local effective potential, H ex has been used to account for electron exchange, together with a model hamiltonian for the helium atom in Kohn's variational approximation to the electron helium scattering length, a. H ex was chosen to give agreement with the Born-exchange and static-exchange approximations. Correlation was introduced in the 84 term that trial function by using interelectronic coordinates. The method provides an upper bound to the 'model' scattering length and the value of 1.16a 0 was obtained in good agreement with more elaborate calculations and with experiment.
A trial wavefunction, Psi 1 , which contains both linear and nonlinear parameters is constructed using an approximate target wavefunction, Psi 1 is related to a quantity, a v , which becomes the Kohn scattering length if the target wavefunction is exact, through an integral expression corresponding to a slight modification of the usual Kohn variational method. It is conjectured that if the values of a v display a local minimum when all the nonlinear parameters of Psi 1 are varied, then this local minimum value of a v is an upper bound on the exact scattering length. Calculations on the zero-energy positron-helium scattering system using Hylleraas-type approximations to the helium ground-state wavefunction are analysed using this criterion. The use of either a six-parameter or a ten-parameter Hylleraas-type approximation to the helium ground-state wavefunction can give good results in scattering calculations for the positron-helium system at zero energy.
An electron in helium vapor at 4\ifmmode^\circ\else\textdegree\fi{}K is characterized by its sss-wave scattering length off helium atoms. This scattering length is small compared with the average interparticle spacing in the helium vapor. Consequently, we have taken as a model a particle interacting via hard-core repulsion with an ideal gas. This establishes a connection with the hard-sphere Bose problem of more general interest. The model described above is simpler (a) because it has only Boltzmann statistics and (b) because the electron is very light compared with the helium atoms. For this model, we have calculated the interaction free energy of the electron assuming that it is in statistical equilibrium with the helium gas. In the sss-wave approximation, it is shown that this interaction free energy is rigorously $2\ensuremath{\pi}\ensuremath{\rho}a(\frac{{\ensuremath{\hbar}}^{2}}{m})$ due to single scattering, all higher order multiple-scattering effects being zero. Here, $\ensuremath{\rho}$ is the average density of helium atoms, ddd is the scattering length, and mmm, is the electron mass. Since the ppp-wave approximation contributes a term of order $\ensuremath{\rho}{a}^{3}$, it is evident that the term $2\ensuremath{\pi}\ensuremath{\rho}a(\frac{{\ensuremath{\hbar}}^{2}}{m})$ is good to higher densities than might previously have been supposed. This provides partial justification for the "bubble" model of the electron mobility since the term $2\ensuremath{\pi}\ensuremath{\rho}a(\frac{{\ensuremath{\hbar}}^{2}}{m})$ is certainly good up to densities at which the free energy of the "bubble" configuration becomes smaller.
We present a variational basis-set calculational scheme for elastic scattering of positronium atom by helium atom in S wave and apply it to the calculation of the scattering length. Highly correlated trial functions with appropriate symmetry are used in this calculation. We report numerical result for the scattering length in atomic unit: $(1.0\ifmmode\pm\else\textpm\fi{}{0.1)a}_{0}.$ This corresponds to a zero-energy elastic cross section of $(4.0\ifmmode\pm\else\textpm\fi{}0.8)\ensuremath{\pi}{a}_{0}^{2}.$
Recently developed variational techniques for determining upper bounds on scattering lengths are applied to singlet and triplet scattering of zero-energy electrons by atomic hydrogen. The results obtained are not only rigorous but are in fact somewhat lower and therefore somewhat better than those previously obtained by variational methods. We find that the triplet and singlet scattering lengths, AT{A}_{T}AT​ and AS{A}_{S}AS​ respectively, satisfy the inequalities ${A}_{T}\ensuremath{\leqq}1.91{a}_{0}$ and ${A}_{S}\ensuremath{\leqq}6.23{a}_{0}$, where a0{a}_{0}a0​ is the Bohr radius. The only assumptions involved in the deduction of these results are that there be no bound triplet state and one and only one bound singlet state. The singlet trial function determined during the course of the calculation generates a singlet effective range, r0S{r}_{0S}r0S​, of about 2.7a02.7{a}_{0}2.7a0​. The triplet trial functions which were obtained were not sufficiently accurate to be useful in a determination of the triplet effective range, r0T{r}_{0T}r0T​.
The non-relativistic Schrödinger equation of electron plus hydrogen-atom system is solved by the Hulthén type variational method at the limit of zero incident electron energy. 8 and 5 parameter trial functions are used for the singlet and triplet states respectively, and the following upper bounds on the scattering length a are obtained, as ≦6.217a0 (singlet), at ≦2.272a0 (triplet). Some discussions are given on the accuracy of the result. It is shown that the relation aOH > aSH > aK > a (true) holds for trial functions of the same form if a(true) is positive.
Calculations have been made on the elastic scattering of low-energy electrons by helium using a variational procedure which takes polarization and correlation effects into account by means of continuum Bethe-Goldstone equations. The convergence of the results is examined using two methods to obtain a complete set of basis functions. Results for the sss, ppp, ddd, and fff waves are presented. The width of the 2S^{2}S2S closed-channel resonance below the n=2n=2n=2 threshold is found to be 0.015 eV, in comparison with the 0.015-0.020-eV estimates of Andrick and Ehrhardt from experiment and the 0.01-eV estimate of Simpson and Fano.