Variational Methods in Electron-Atom Scattering Theory
Variational Methods in Electron-Atom Scattering Theory

Author: Robert K. Nesbet

Publisher: Springer Science & Business Media

Published: 2013-11-21

Total Pages: 234

ISBN-13: 1468484311

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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.

Potential Scattering in Atomic Physics
Potential Scattering in Atomic Physics

Author: P. G. Burke

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 137

ISBN-13: 1461341124

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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.

Theory of Electron—Atom Collisions
Theory of Electron—Atom Collisions

Author: Philip G. Burke

Publisher: Springer Science & Business Media

Published: 2013-06-29

Total Pages: 264

ISBN-13: 1489915672

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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.

Variational Calculation of Electron Elastic Scattering by Atomic Helium
Variational Calculation of Electron Elastic Scattering by Atomic Helium

Author: Paul Joseph Chernek

Publisher:

Published: 1982

Total Pages: 52

ISBN-13:

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The elastic-scattering of electrons from atomic helium in the ground state is investigated. It is shown that for low energy incident electrons the scattering problem reduced to solving an ordinary integro-differential equation for the scattering wave-function. A method is discussed to obtain approximate solutions to the integro-differential equation by variational principles. The extremum condition of the variational method is formulated into a general N x N matrix equation which reduces to a 2 x 2 eigen-value matrix problem for the phase-shift of the scattering electron. An algorithm is presented to obtain the collisional cross-section for elastic scattering as a function of incident electron energy. (Author).

Electron-Atom and Electron-Molecule Collisions
Electron-Atom and Electron-Molecule Collisions

Author: Jürgen Hinze

Publisher: Springer Science & Business Media

Published: 2013-11-11

Total Pages: 353

ISBN-13: 1489921486

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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.

Variational Principles and Methods in Theoretical Physics and Chemistry
Variational Principles and Methods in Theoretical Physics and Chemistry

Author: Robert K. Nesbet

Publisher: Cambridge University Press

Published: 2002-11-14

Total Pages: 245

ISBN-13: 1139435698

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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.

Quantum Theory of Scattering
Quantum Theory of Scattering

Author: Ta-you Wu

Publisher: Courier Corporation

Published: 2014-01-15

Total Pages: 530

ISBN-13: 0486320693

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This volume addresses the broad formal aspects and applications of the quantum theory of scattering in atomic and nuclear collisions. An encyclopedic source of pioneering work, it serves as a text for students and a reference for professionals in the fields of chemistry, physics, and astrophysics. The self-contained treatment begins with the general theory of scattering of a particle by a central field. Subsequent chapters explore particle scattering by a non-central field, collisions between composite particles, the time-dependent theory of scattering, and nuclear reactions. An examination of dispersion relations concludes the text. Numerous graphs, tables, and footnotes illuminate each chapter, in addition to helpful appendixes and bibliographies.

Semiempirical Methods of Electronic Structure Calculation
Semiempirical Methods of Electronic Structure Calculation

Author: Gerald Segal

Publisher: Springer Science & Business Media

Published: 2012-12-06

Total Pages: 319

ISBN-13: 1468425595

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If one reflects upon the range of chemical problems accessible to the current quantum theoretical methods for calculations on the electronic structure of molecules, one is immediately struck by the rather narrow limits imposed by economic and numerical feasibility. Most of the systems with which experimental photochemists actually work are beyond the grasp of ab initio methods due to the presence of a few reasonably large aromatic ring systems. Potential energy surfaces for all but the smallest molecules are extremely expensive to produce, even over a restricted group of the possible degrees of freedom, and molecules containing the higher elements of the periodic table remain virtually untouched due to the large numbers of electrons involved. Almost the entire class of molecules of real biological interest is simply out of the question. In general, the theoretician is reduced to model systems of variable appositeness in most of these fields. The fundamental problem, from a basic computational point of view, is that large molecules require large numbers of basis functions, whether Slater type orbitals or Gaussian functions suitably contracted, to provide even a modestly accurate description of the molecular electronic environment. This leads to the necessity of dealing with very large matrices and numbers of integrals within the Hartree-Fock approximation and quickly becomes both numerically difficult and uneconomic.