The investigation of scattering phenomena is a major theme of modern physics. A scattered particle provides a dynamical probe of the target system. The practical problem of interest here is the scattering of a low energy electron by an N-electron atom. It has been difficult in this area of study to achieve theoretical results that are even qualitatively correct, yet quantitative accuracy is often needed as an adjunct to experiment. The present book describes a quantitative theoretical method, or class of methods, that has been applied effectively to this problem. Quantum mechanical theory relevant to the scattering of an electron by an N-electron atom, which may gain or lose energy in the process, is summarized in Chapter 1. The variational theory itself is presented in Chapter 2, both as currently used and in forms that may facilitate future applications. The theory of multichannel resonance and threshold effects, which provide a rich structure to observed electron-atom scattering data, is presented in Chapter 3. Practical details of the computational implementation of the variational theory are given in Chapter 4. Chapters 5 and 6 summarize recent appli cations of the variational theory to problems of experimental interest, with many examples of the successful interpretation of complex structural fea tures observed in scattering experiments, and of the quantitative prediction of details of electron-atom scattering phenomena.

This monograph was written while the author was a visitor at the Center for Theoretical Studies at the University of Miami, Coral Gables, Florida. The author wishes to thank Professor Behram Kursunoglu for the warm hospitality extended to him at the Center and to acknowledge the many interesting and fruitful discussions which he had with other visitors and with members of staff at the Center. Philip G. Burke v Contents 1. Introduction. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 2. Scattering by a Short-Range Potential. . . . . . . . . . . . . . . 5 3. Scattering by a Coulomb Potential. . . . . . . . . . . . . . . . . . 11 4. Scattering by a Spin-Orbit Potential . . . . . . . . . . . . . . " 17 5. Scattering by One-Electron Atoms. . . . . . . . . . . . . . . . . . 23 6. Low-Energy Effective-Range Theory. . . . . . . . . . . . . . . . 39 7. Bound States and Resonances. . . . . . . . . . . . . . . . . . . . . . 55 8. Variational Methods and Bound Principles. . . . . . . . . . 75 9. Integral Equation Methods and the Born Approximation. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 97 10. Semiclassical and Eikonal Methods . . . . . . . . . . . . . . . . . 117 Appendix. The Coupling of Angular Momenta . . . . . . . . . . . 127 References. . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 131 Index . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135 vii 1 Introduction In this monograph we study the scattering of a particle by a potential field with particular reference to elastic electron scat tering by a neutral atom or by an ion. This subject is clearly of interest in its own right as a branch of quantum mechanical scattering theory. However, it also serves as an introduction to many of the basic theoretical concepts which are used in inelastic electron scattering and ionization. Consequently this mono graph can be viewed as an introduction to texts where these subjects are treated.

The authors aim to hone the theory of electron-atom and electron-ion collisions by developing mathematical equations and comparing their results to the wealth of recent experimental data. This first of three parts focuses on potential scattering, and will serve as an introduction to many of the concepts covered in Parts II and III. As these processes occur in so many of the physical sciences, researchers in astrophysics, atmospheric physics, plasma physics, and laser physics will all benefit from the monograph.

This book brings together the essential ideas and methods behind applications of variational theory in theoretical physics and chemistry. The emphasis is on understanding physical and computational applications of variational methodology rather than on rigorous mathematical formalism. The text begins with an historical survey of familiar variational principles in classical mechanics and optimization theory, then proceeds to develop the variational principles and formalism behind current computational methodology for bound and continuum quantum states of interacting electrons in atoms, molecules, and condensed matter. It covers multiple-scattering theory, including a detailed presentation of contemporary methodology for electron-impact rotational and vibrational excitation of molecules. The book ends with an introduction to the variational theory of relativistic fields. Ideal for graduate students and researchers in any field that uses variational methodology, this book is particularly suitable as a backup reference for lecture courses in mathematical methods in physics and theoretical chemistry.

The papers collected in this volume have been presented during a workshop on "Electron-Atom and Molecule Collisions" held at the Centre for Interdisciplinary Studies of the University of Bielefeld in May 1980. This workshop, part of a larger program concerned with the "Properties and Reactions of Isolated Molecules and Atoms," focused on the theory and computational techniques for the quanti tative description of electron scattering phenomena. With the advances which have been made in the accurate quantum mechanical characterisation of bound states of atoms and molecules, the more complicated description of the unbound systems and resonances important in electron collision processes has matured too. As expli cated in detail in the articles of this volume, the theory for the quantitative explanation of elastic and inelastic electron molecule collisions, of photo- and multiple photon ionization and even for electron impact ionization is well developed in a form which lends itself to a complete quantitative ab initio interpretation and pre diction of the observable effects. Many of the experiences gained and the techniques which have evolved over the years in the com putational characterization of bound states have become an essential basis for this development. To be sure, much needs to be done before we have a complete and detailed theoretical understanding of the known collisional processes and of the phenomena and effects, which may still be un covered with the continuing refinement of the experimental tech niques.

"Proceedings of the Ninth International Conference on Computing Methods in Applied Sciences and Engineering, Paris, France, January 29-February 2, 1990"--T.p. verso.

The rivers run into the sea, yet the sea is not full Ecclesiastes What is quantum chemistry? The straightforward answer is that it is what quan tum chemists do. But it must be admitted, that in contrast to physicists and chemists, "quantum chemists" seem to be a rather ill-defined category of scientists. Quantum chemists are more or less physicists (basically theoreticians), more or less chemists, and by large, computationists. But first and foremost, we, quantum chemists; are conscious beings. We may safely guess that quantum chemistry was one of the first areas in the natural sciences to lie on the boundaries of many disciplines. We may certainly claim that quantum chemists were the first to use computers for really large scale calculations. The scope of the problems which quantum chemistry wishes to answer and which, by its unique nature, only quantum chemistry can answer is growing daily. Retrospectively we may guess that many of those problems meet a daily need, or are say, technical in some sense. The rest are fundamental or conceptual. The daily life of most quantum chemists is usually filled with grasping the more or less technical problems. But it is at least as important to devote some time to the other kind of problems whose solution will open up new perspectives for both quantum chemistry itself and for the natural sciences in general.