Abstract

Two-electron atoms have been investigated near threshold of double escape within the framework of hyperspherical coordinates. A particularly useful set of hyperspherical angles has been used. It is well known for many years that the hyperradial motion is nearly separable from the hyperspherical angular motion. Therefore, the Born-Oppenheimer separation method should be useful. However, the success of that method in molecular physics is based on the small mass ratio, electron mass to nuclear mass. In the atomic application such a small parameter does not exist. Nevertheless the method works surprisingly well in the lower part of the spectrum. For increasing excitation energy the method becomes shaky. Near ionization threshold, it breaks even down. The author will present elsewhere an improved Born-Oppenheimer method. First pilot developments and comparison with the experimental situation are presented already here. Inclusion of a momentum-momentum radial coupling delivers an improved basis. We show that our extended Born-Oppenheimer approach leads to a deformation of the whole potential energy surface during the collision. In consequence of this deformation we outline a quantum derivation of the Wannier threshold cross section law, and we show that (e, 2e) angular distribution data are strongly influenced by that surface deformation. Finally, we present a mechanism for electron pair formation and decay leading to a supercurrent independent of the temperature. Our framework can be extended to more than two electrons, say 3 or 4. We conclude that our improved Born-Oppenheimer method [1] is expected not only to deliver better numerical data, but it is expected to describe also the Wannier phenomenon. The idea of the new theory together with first qualitative results is presented in this paper.

Highlights

  • The theory of multi-electron atomic spectra is far from being well understood.Models by Bohr [2], and Hartree-Fock [3] deal with single electron configurations, and neglect correlation

  • Two-electron atoms have been investigated near threshold of double escape within the framework of hyperspherical coordinates

  • We show that our extended Born-Oppenheimer approach leads to a deformation of the whole potential energy surface during the collision

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Summary

Introduction

The theory of multi-electron atomic spectra is far from being well understood. Models by Bohr [2], and Hartree-Fock [3] deal with single electron configurations, and neglect correlation. Klar et al [8] have presented similar calculations employing more suitable angular coordinates Their results are very good in the lower part of the spectrum They become, shaky at increasing excitation energy, and their method breaks down near the threshold of double escape. It is the aim of the present paper to work out the reason for that shortcoming, see [1]. The present paper goes beyond the usual Born Oppenheimer method, and takes a momentum-momentum coupling into account too. The paper is organized as follows. §2 treats geometrical aspects, §3 develops an improved Born-Oppenheimer treatment for simplicity restricted to S states, §4 analyzes novel motions of the whole complex and compares results with experimental work, §5 presents a novel supercurrent based on the extended Born-Oppenheimer model, and §6 outlines possible generalizations to more

Geometrical Aspects
Zero-Energy Wave Function
Analysis of the Potential Deformation
Supercurrent
Generalization to More Than Two Electrons
Conclusion
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