Computational Methods for Electron Molecule Collisions

Computational Methods for Electron   Molecule Collisions

The role of nonadiabatic interaction is raised here. When the final vibrational state is in the continuum, molecular dissociation occurs. Dissociative recombination and dissociative attachment are examples of such fragmentation processes.

Author: Franco A. Gianturco

Publisher: Springer Science & Business Media

ISBN: 9781475797978

Category: Science

Page: 364

View: 310

The collision of electrons with molecules and molecular ions is a fundamental pro cess in atomic and molecular physics and in chemistry. At high incident electron en ergies, electron-molecule collisions are used to deduce molecular geometries, oscillator strengths for optically allowed transitions, and in the case of electron-impact ionization, to probe the momentum distribution of the molecule itself. When the incident electron energy is comparable to or below those of the molecular valence electrons, the physics involved is particularly rich. Correlation and exchange effects necessary to describe such collision processes bear a close resemblance to similar efft:cts in the theory of electronic structure in molecules. Compound state formations, in the form of resonances and vir tual states, manifest themselves in experimental observables which provide details of the electron-molecule interactions. Ro-vibrational excitations by low-energy electron collisions exemplify energy transfer between the electronic and nuclear motion. The role of nonadiabatic interaction is raised here. When the final vibrational state is in the continuum, molecular dissociation occurs. Dissociative recombination and dissociative attachment are examples of such fragmentation processes. In addition to its fundamental nature, the study of electron-molecule collisions is also motivated by its relation to other fields of study and by its technological appli cations. The study of planetary atmospheres and the interstellar medium necessarily involve collision processes of electrons with molecules and molecular ions.
Categories: Science

Computational Methods for Electron Molecule Collisions

Computational Methods for Electron   Molecule Collisions

The role of nonadiabatic interaction is raised here. When the final vibrational state is in the continuum, molecular dissociation occurs. Dissociative recombination and dissociative attachment are examples of such fragmentation processes.

Author: Franco A. Gianturco

Publisher: Springer

ISBN: 1475797982

Category: Science

Page: 364

View: 112

The collision of electrons with molecules and molecular ions is a fundamental pro cess in atomic and molecular physics and in chemistry. At high incident electron en ergies, electron-molecule collisions are used to deduce molecular geometries, oscillator strengths for optically allowed transitions, and in the case of electron-impact ionization, to probe the momentum distribution of the molecule itself. When the incident electron energy is comparable to or below those of the molecular valence electrons, the physics involved is particularly rich. Correlation and exchange effects necessary to describe such collision processes bear a close resemblance to similar efft:cts in the theory of electronic structure in molecules. Compound state formations, in the form of resonances and vir tual states, manifest themselves in experimental observables which provide details of the electron-molecule interactions. Ro-vibrational excitations by low-energy electron collisions exemplify energy transfer between the electronic and nuclear motion. The role of nonadiabatic interaction is raised here. When the final vibrational state is in the continuum, molecular dissociation occurs. Dissociative recombination and dissociative attachment are examples of such fragmentation processes. In addition to its fundamental nature, the study of electron-molecule collisions is also motivated by its relation to other fields of study and by its technological appli cations. The study of planetary atmospheres and the interstellar medium necessarily involve collision processes of electrons with molecules and molecular ions.
Categories: Science

Electron Atom and Electron Molecule Collisions

Electron Atom and Electron Molecule Collisions

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.

Author: Jürgen Hinze

Publisher: Springer Science & Business Media

ISBN: 9781489921482

Category: Science

Page: 354

View: 115

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.
Categories: Science

Novel Aspects of Electron molecule Collisions

Novel Aspects of Electron molecule Collisions

B 17 , 443 ( 1983 ) and F.A.Gianturco , D.J.Thompson , A.K.Jain , from Computational Methods for Electron - Molecule Collisions . eds .

Author: Kurt H. Becker

Publisher: World Scientific

ISBN: 9810234694

Category: Science

Page: 346

View: 579

Covers theoretical and experimental activities in the field of electron molecule collisions, with chapters on areas including positive and negative ion formation in electron collisions with fullerenes, spin effects in electron molecule collisions, collisions with oriented and aligned molecules, and electron impact dissociative excitation and ionization of molecular ions. Other subjects include electron-molecule cross sections for plasma application, and improvements to the complex Kohn variational method. No index. Annotation copyrighted by Book News, Inc., Portland, OR
Categories: Science

Electron Molecule and Photon Molecule Collisions

Electron Molecule and Photon Molecule Collisions

In this volume, are collected the contributions of the invited speakers, as well as the roundtable and evening discussions condensed from taped recordings of the entire proceedings.

Author: T.N. Rescigno

Publisher: Springer Science & Business Media

ISBN: 9781468469882

Category: Technology & Engineering

Page: 355

View: 458

The First Asilomar Conference on Electron- and Photon-Molecule Collisions was held August 1-4, 1978 in Pacific Grove, California. This meeting brought together forty scientists who are actively involved in theoretical studies of electron scattering by, and photoionization of, small molecules. In this volume, are collected the contributions of the invited speakers, as well as the roundtable and evening discussions condensed from taped recordings of the entire proceedings. The subject matter reflects current activity in the field and describes many of the techniques that are being developed and applied to molecular collision problems. We would like to thank the Air Force Office of Scientific Research (AFOSR) and the Office of Naval Research (ONR) for providing the financial support that made this conference possible. Special thanks are due to Dr. Robert Junker of ONR and Dr. Ralph Kelley of AFOSR for the interest and encouragement they provided in all phases of this meeting. We also thank all the participants whose efforts and contributions made this conference a success. Finally, we thank Ms. Charlotte MacNaughton and Ms. Sara Jackson for the many hours they spent transcribing tapes and preparing this volume for publication.
Categories: Technology & Engineering

Electron Molecule Collisions

Electron Molecule Collisions

COMPUTATIONAL METHODS FOR LOW-ENERGY ELECTRON-MOLECULE COLLISIONS B.D. BUCKLEY, P.G. BURKE, AND C.J. NOBLE 1. Introduction In the last few years ...

Author: Isao Shimamura

Publisher: Springer Science & Business Media

ISBN: 9781461323570

Category: Science

Page: 570

View: 509

Scattering phenomena play an important role in modern physics. Many significant discoveries have been made through collision experiments. Amongst diverse kinds of collision systems, this book sheds light on the collision of an electron with a molecule. The electron-molecule collision provides a basic scattering problem. It is scattering by a nonspherical, multicentered composite particle with its centers having degrees of freedom of motion. The molecule can even disintegrate, Le., dissociate or ionize into fragments, some or all of which may also be molecules. Although it is a difficult problem, the recent theoretical, experimental, and computational progress has been so significant as to warrant publication of a book that specializes in this field. The progress owes partly to technical develop ments in measurements and computations. No less important has been the great and continuing stimulus from such fields of application as astrophysics, the physics of the earth's upper atmosphere, laser physics, radiation physics, the physics of gas discharges, magnetohydrodynamic power generation, and so on. This book aims at introducing the reader to the problem of electron molecule collisions, elucidating the physics behind the phenomena, and review ing, to some extent, up-to-date important results. This book should be appropri ate for graduate reading in physics and chemistry. We also believe that investi gators in atomic and molecular physics will benefit much from this book.
Categories: Science

Low Energy Electron Scattering from Molecules Biomolecules and Surfaces

Low Energy Electron Scattering from Molecules  Biomolecules and Surfaces

In W. M. Huo and F. A. Gianturco (Eds.), Computational Methods for Electron-Molecule Collisions, pp. 75–118. New York, NY: Plenum Press.

Author: Petr Carsky

Publisher: CRC Press

ISBN: 9781439839119

Category: Science

Page: 296

View: 298

Since the turn of the 21st century, the field of electron molecule collisions has undergone a renaissance. The importance of such collisions in applications from radiation chemistry to astrochemistry has flowered, and their role in industrial processes such as plasma technology and lighting are vital to the advancement of next generation devices. Furthermore, the development of the scanning tunneling microscope highlights the role of such collisions in the condensed phase, in surface processing, and in the development of nanotechnology. Low-Energy Electron Scattering from Molecules, Biomolecules and Surfaces highlights recent progress in the theory and experiment of electron-molecule collisions, providing a detailed review of the current state of knowledge of electron molecule scattering—theoretical and experimental—for the general physicist and chemist interested in solving practical problems. In few other branches of science is the collaboration between theorists and experimentalists so topical. Covering advancements in practical problems, such as those met in plasma physics, microelectronics, nanolithography, DNA research, atmospheric chemistry, and astrochemistry, this book describes the formal general scattering theory and description of the experimental setup at a level the interested non-expert can appreciate.
Categories: Science

Molecular Physics and Hypersonic Flows

Molecular Physics and Hypersonic Flows

Summary The role of electron - air molecule collisions in hypersonic flows is reviewed. ... (1995) Computational Methods for ElectronMolecule Collisions, ...

Author: M. Capitelli

Publisher: Springer Science & Business Media

ISBN: 9789400902671

Category: Science

Page: 795

View: 453

Molecular Physics and Hypersonic Flows bridges the gap between the fluid dynamics and molecular physics communities, emphasizing the role played by elementary processes in hypersonic flows. In particular, the work is primarily dedicated to filling the gap between microscopic and macroscopic treatments of the source terms to be inserted in the fluid dynamics codes. The first part of the book describes the molecular dynamics of elementary processes both in the gas phase and in the interaction with surfaces by using quantum mechanical and phenomenological approaches. A second group of contributions describes thermodynamics and transport properties of air components, with special attention to the transport of internal energy. A series of papers is devoted to the experimental and theoretical study of the flow of partially ionized gases. Subsequent contributions treat modern computational techniques for 3-D hypersonic flow. Non-equilibrium vibrational kinetics are then described, together with the coupling of vibration-dissociation processes as they affect hypersonic flows. Special emphasis is given to the interfacing of non-equilibrium models with computational fluid dynamics methods. Finally, the last part of the book deals with the application of direct Monte Carlo methods in describing rarefied flows.
Categories: Science

Advances in Atomic Molecular and Optical Physics

Advances in Atomic  Molecular  and Optical Physics

In W. M. Huo and F. A. Gianturco (Eds.), Computational methods for electronmolecule collisions (pp. 227—237). Plenum (New York).

Author:

Publisher: Elsevier

ISBN: 0080561543

Category: Science

Page: 424

View: 191

This series, established in 1965, is concerned with recent developments in the general area of atomic, molecular, and optical physics. The field is in a state of rapid growth, as new experimental and theoretical techniques are used on many old and new problems. Topics covered also include related applied areas, such as atmospheric science, astrophysics, surface physics, and laser physics. Articles are written by distinguished experts who are active in their research fields. The articles contain both relevant review material as well as detailed descriptions of important recent developments.
Categories: Science

Electron Correlation in Molecules ab initio Beyond Gaussian Quantum Chemistry

Electron Correlation in Molecules     ab initio Beyond Gaussian Quantum Chemistry

Schneider, B. I. 8. An R-Matrix Approach to Electron-Molecule Collisions. In: Computational Methods for Electron-Molecule Collisions; Huo, M. W., Gianturco, ...

Author:

Publisher: Academic Press

ISBN: 9780128030615

Category: Science

Page: 440

View: 785

Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry presents a series of articles concerning important topics in quantum chemistry, including surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology Features detailed reviews written by leading international researchers The volume includes review on all the topics treated by world renown authors and cutting edge research contributions.
Categories: Science

Low Energy Electrons

Low Energy Electrons

In Computational Methods for Electron Molecule Collisions, Huo, W. M. and Gianturco, F., eds. Plenum Press, New York, pp. 1–44. 13.

Author: Oddur Ingólfsson

Publisher: CRC Press

ISBN: 9780429608285

Category: Science

Page: 418

View: 951

Low-energy electrons are ubiquitous in nature and play an important role in natural phenomena as well as many potential and current industrial processes. Authored by 16 active researchers, this book describes the fundamental characteristics of low-energy electron–molecule interactions and their role in different fields of science and technology, including plasma processing, nanotechnology, and health care, as well as astro- and atmospheric physics and chemistry. The book is packed with illustrative examples, from both fundamental and application sides, features about 130 figures, and lists over 800 references. It may serve as an advanced graduate-level study course material where selected chapters can be used either individually or in combination as a basis to highlight and study specific aspects of low-energy electron–molecule interactions. It is also directed at researchers in the fields of plasma physics, nanotechnology, and radiation damage to biologically relevant material (such as in cancer therapy), especially those with an interest in high-energy-radiation-induced processes, from both an experimental and a theoretical point of view.
Categories: Science

Scattering Two Volume Set

Scattering  Two Volume Set

Huo, W M. 1995, The Schwinger variational method. In Computational Methods for Electron-Molecule Collisions (W M. Huo and F. A. Gianturco, Eds), Ch. 15.

Author: E. R. Pike

Publisher: Elsevier

ISBN: 9780080540733

Category: Science

Page: 1831

View: 539

Scattering is the collision of two objects that results in a change of trajectory and energy. For example, in particle physics, such as electrons, photons, or neutrons are "scattered off" of a target specimen, resulting in a different energy and direction. In the field of electromagnetism, scattering is the random diffusion of electromagnetic radiation from air masses is an aid in the long-range sending of radio signals over geographic obstacles such as mountains. This type of scattering, applied to the field of acoustics, is the spreading of sound in many directions due to irregularities in the transmission medium. Volume I of Scattering will be devoted to basic theoretical ideas, approximation methods, numerical techniques and mathematical modeling. Volume II will be concerned with basic experimental techniques, technological practices, and comparisons with relevant theoretical work including seismology, medical applications, meteorological phenomena and astronomy. This reference will be used by researchers and graduate students in physics, applied physics, biophysics, chemical physics, medical physics, acoustics, geosciences, optics, mathematics, and engineering. This is the first encyclopedic-range work on the topic of scattering theory in quantum mechanics, elastodynamics, acoustics, and electromagnetics. It serves as a comprehensive interdisciplinary presentation of scattering and inverse scattering theory and applications in a wide range of scientific fields, with an emphasis, and details, up-to-date developments. Scattering also places an emphasis on the problems that are still in active current research. The first interdisciplinary reference source on scattering to gather all world expertise in this technique Covers the major aspects of scattering in a common language, helping to widening the knowledge of researchers across disciplines The list of editors, associate editors and contributors reads like an international Who's Who in the interdisciplinary field of scattering
Categories: Science

Energy Research Abstracts

Energy Research Abstracts

One promising method for the development of large quantities of spin ... photon for 108 collisions ) depands both on the kinetic energy of the molecules and ...

Author:

Publisher:

ISBN: OSU:32435021070669

Category: Power resources

Page:

View: 747

Categories: Power resources

ERDA Energy Research Abstracts

ERDA Energy Research Abstracts

Considering the kinematics of low energy electron - molecule collisions ... Recent developments in computational methods for low energy electron - molecule ...

Author:

Publisher:

ISBN: UIUC:30112018073749

Category: Power resources

Page:

View: 482

Categories: Power resources

Eleventh International Conference on Atomic and Molecular Data and Their Applications

Eleventh International Conference on Atomic and Molecular Data and Their Applications

In Computational Methods for Electron-Molecule Collisions; Huo, W., Gianturco, F.A., Eds.; Plenum: New York, NY, USA, 1995; pp. 239–254.

Author: James F. Babb

Publisher: MDPI

ISBN: 9783039280889

Category: Mathematics

Page: 64

View: 872

The 11th International Conference on Atomic and Molecular Data and their Applications (ICAMDATA) was held on November 11–15, 2018, in Cambridge, Massachusetts, and was organized by the Center for Astrophysics | Harvard & Smithsonian. This meeting is a continuation of a series which began in 1997 that was chartered to promote the use of atomic and molecular (AM) data in various fields of science and technology, to provide a forum for the interaction of AM data producers and users, and to foster crossdisciplinary cooperation between AM data producers and users as the coordination of AM data activities and databases worldwide.
Categories: Mathematics

Collision Theory for Atoms and Molecules

Collision Theory for Atoms and Molecules

ELECTRON AND PHOTON COLLISIONS WITH MOLECULES P. G. Burke Department of Applied ... The next section contains a discussion of computational methods.

Author: Franco A. Gianturco

Publisher: Springer Science & Business Media

ISBN: 9781468456554

Category: Science

Page: 554

View: 267

The NATO-Advanced Study Institute on "Collision Theory for Atoms and Molecules" was made possible by the main sponsorship and the generous financial support of the NATO Scientific Affairs Division in Brussels. Belgium. Special thanks are therefore due to the late Dr. Mario Di Lullo and to Dr. Craig Sinclair. of this Division. who repeatedly advised us and kept us aware of administrative requirements. The Institute was also assisted by the financial aid from the Scientific Committees for Chemistry and Physics of the Italian National Research Council (CNR). The search and selection of a suitable location. one which participants would easily reach from any of Italy's main airports, was ably aided by the Personnel of the Scuola Normale Superiore of Pisa and made possible by its Directorship. Our thanks therefore go to its present director. Prof. L. Radicati. and to its past director. Prof. E. Vesentini who first agreed to our use of their main building in Pisa and of their palatial facilities at the "Palazzone" in Cortona.
Categories: Science

Electron Molecule Interactions and Their Applications

Electron Molecule Interactions and Their Applications

Theory of ElectronMolecule Collisions Complete review of theoretical methods ... Computational Methods for Low-Energy ElectronMolecule Scattering Very ...

Author: L Christophorou

Publisher: Elsevier

ISBN: 9780323143011

Category: Science

Page: 716

View: 122

Electron-Molecule Interactions and Their Applications, Volume 1 presents a comprehensive account of electron-molecule interactions in high- and ultra-high-pressure gases and liquids. Topics covered include elastic scattering of electrons by molecules; excitation, ionization, and dissociation of molecules by electron impact; electron-molecule resonances; and electron attachment and detachment processes. This volume is comprised of seven chapters and begins with a discussion on non-resonant elastic scattering and rotational excitation of molecules by electrons, followed by a review of non-resonant vibrational and electronic excitation. The reader is then introduced to resonance effects in electron scattering; electron-induced ionization and dissociation of molecules; and electron-molecule resonances. The ionization mechanisms and types of ions produced are highlighted, along with differential ionization cross sections. The final two chapters focus on electron attachment and detachment processes, paying particular attention to modes of electron capture by molecules such as via negative-ion resonant states. The collisional dynamics for a few selected atomic reactants are also described. Physicists will find this book extremely helpful.
Categories: Science

Swarm Studies and Inelastic Electron Molecule Collisions

Swarm Studies and Inelastic Electron Molecule Collisions

This volume presents the contributions of participants in the Symposium on Swarm Studies and Inelastic Electron-Molecule Collisions, held on July 19-23, 1985, in Tahoe City, California.

Author: Leanne C. Pitchford

Publisher: Springer Science & Business Media

ISBN: 9781461246626

Category: Science

Page: 424

View: 646

This volume presents the contributions of participants in the Symposium on Swarm Studies and Inelastic Electron-Molecule Collisions, held on July 19-23, 1985, in Tahoe City, California. This was a joint meeting of the Fourth International Swarm Seminar and the Electron-Molecule Collisions Symposium which have been traditionally separate satellite symposia to the International Conference on the Physics of Electronic and Atomic Collisions (ICPEAC). In the early stages of planning for these two satellite symposia to the XIVth ICPEAC, a group of us recognized the significant scientific merit and advantages of having a joint symposium. This idea was particularly appealing due to a large mutual interest in important advances (theoretical, experimental, and modeling) in both fields, and because it provides a forum to bring together a single-collision point of view with a multiple-collision one. For example, studies of multiple-term solutions to Boltzmann's equation and their application to swarm systems are intrinsically coupled to the availability of both integral and differential cross-sections for electron-molecule collisions. In tum, experimental and theoretical studies of these electron-molecule scattering cross-sections are becoming quite sophisticated, accurate, and comprehensive. Furthermore, in swarm studies, computational and experimental methods have advanced to the point where detailed and meaningful comparison with, and use of, single-collision beam data is now possible. More over, recent experimental advances in the study of single-collision electron at tachment phenomena have provided a significant overlap with swarm data and extension to subthermal energies.
Categories: Science

Swarm Studies and Inelastic Electron Molecule Collisions

Swarm Studies and Inelastic Electron Molecule Collisions

This volume presents the contributions of participants in the Symposium on Swarm Studies and Inelastic Electron-Molecule Collisions, held on July 19-23, 1985, in Tahoe City, California.

Author: Leanne C. Pitchford

Publisher: Springer

ISBN: 1461291046

Category: Science

Page: 424

View: 599

This volume presents the contributions of participants in the Symposium on Swarm Studies and Inelastic Electron-Molecule Collisions, held on July 19-23, 1985, in Tahoe City, California. This was a joint meeting of the Fourth International Swarm Seminar and the Electron-Molecule Collisions Symposium which have been traditionally separate satellite symposia to the International Conference on the Physics of Electronic and Atomic Collisions (ICPEAC). In the early stages of planning for these two satellite symposia to the XIVth ICPEAC, a group of us recognized the significant scientific merit and advantages of having a joint symposium. This idea was particularly appealing due to a large mutual interest in important advances (theoretical, experimental, and modeling) in both fields, and because it provides a forum to bring together a single-collision point of view with a multiple-collision one. For example, studies of multiple-term solutions to Boltzmann's equation and their application to swarm systems are intrinsically coupled to the availability of both integral and differential cross-sections for electron-molecule collisions. In tum, experimental and theoretical studies of these electron-molecule scattering cross-sections are becoming quite sophisticated, accurate, and comprehensive. Furthermore, in swarm studies, computational and experimental methods have advanced to the point where detailed and meaningful comparison with, and use of, single-collision beam data is now possible. More over, recent experimental advances in the study of single-collision electron at tachment phenomena have provided a significant overlap with swarm data and extension to subthermal energies.
Categories: Science

Supercomputing Collision Processes and Applications

Supercomputing  Collision Processes  and Applications

Implementation of this method for electron-molecule scattering is currently ... and A. Jain in Computational Methods for Electron-Molecule Collisions, eds.

Author: Kenneth L. Bell

Publisher: Springer Science & Business Media

ISBN: 9780306474644

Category: Science

Page: 288

View: 733

Professor Philip G. Burke, CBE, FRS formally retired on 30 September 1998. To recognise this occasion some of his colleagues, friends, and former students decided to hold a conference in his honour and to present this volume as a dedication to his enormous contribution to the theoretical atomic physics community. The conference and this volume of the invited talks reflect very closely those areas with which he has mostly been asso- ated and his influence internationally on the development of atomic physics coupled with a parallel growth in supercomputing. Phil’s wide range of interests include electron-atom/molecule collisions, scattering of photons and electrons by molecules adsorbed on surfaces, collisions involving oriented and chiral molecules, and the development of non-perturbative methods for studying multiphoton processes. His devel- ment of the theory associated with such processes has enabled important advances to be made in our understanding of the associated physics, the interpretation of experimental data, has been invaluable in application to fusion processes, and the study of astrophysical plasmas (observed by both ground- and space-based telescopes). We therefore offer this volume as our token of affection and respect to Philip G. Burke, with the hope that it may also fill a gap in the literature in these important fields.
Categories: Science