Computation of Atomic and Molecular Processes

Computation of Atomic and Molecular Processes
Author: Miron Ya. Amusia
Publisher: Springer Nature
Total Pages: 464
Release: 2021-12-02
Genre: Science
ISBN: 3030851435

This book presents numerical methods for solving a wide range of problems associated with the structure of atoms and simplest molecules, and their interaction with electromagnetic radiation, electrons, and other particles. It introduces the ATOM-M software package, presenting a unified software suite, written in Fortran, for carrying out precise atomic and molecular numeric calculations. The book shows how to apply these numerical methods to obtain many different characteristics of atoms, molecules, and the various processes within which they interact. In an entirely self-sufficient approach, it teaches the reader how to use the codes provided to build atomic and molecular systems from the ground up and obtain the resulting one-electron wave functions. The computational programs presented and made available in this book allow calculations in the one-electron Hartree–Fock approximation and take into account many-electron correlations within the framework of the random-phase approximation with exchange or many-body perturbation theory. Ideal for scholars interested in numerical computation of atomic and molecular processes, the material presented in this book is useful to both experts and novices, theorists, and experimentalists.

Relativistic Quantum Theory of Atoms and Molecules

Relativistic Quantum Theory of Atoms and Molecules
Author: Ian P Grant
Publisher: Springer Science & Business Media
Total Pages: 813
Release: 2007-04-15
Genre: Science
ISBN: 0387350691

This book is intended for physicists and chemists who need to understand the theory of atomic and molecular structure and processes, and who wish to apply the theory to practical problems. As far as practicable, the book provides a self-contained account of the theory of relativistic atomic and molecular structure, based on the accepted formalism of bound-state Quantum Electrodynamics. The author was elected a Fellow of the Royal Society of London in 1992.

Computational Atomic Physics

Computational Atomic Physics
Author: Klaus Bartschat
Publisher: Springer
Total Pages: 264
Release: 2013-06-29
Genre: Science
ISBN: 3642610102

Computational Atomic Physics deals with computational methods for calculating electron (and positron) scattering from atoms and ions, including elastic scattering, excitation, and ionization processes. Each chapter is divided into abstract, theory, computer program with sample input and output, summary, suggested problems, and references. An MS-DOS diskette is included, which holds 11 programs covering the features of each chapter and therefore contributing to a deeper understanding of the field. Thus the book provides a unique practical application of advanced quantum mechanics.

Beyond the Molecular Frontier

Beyond the Molecular Frontier
Author: National Research Council
Publisher: National Academies Press
Total Pages: 238
Release: 2003-03-19
Genre: Science
ISBN: 0309168392

Chemistry and chemical engineering have changed significantly in the last decade. They have broadened their scopeâ€"into biology, nanotechnology, materials science, computation, and advanced methods of process systems engineering and controlâ€"so much that the programs in most chemistry and chemical engineering departments now barely resemble the classical notion of chemistry. Beyond the Molecular Frontier brings together research, discovery, and invention across the entire spectrum of the chemical sciencesâ€"from fundamental, molecular-level chemistry to large-scale chemical processing technology. This reflects the way the field has evolved, the synergy at universities between research and education in chemistry and chemical engineering, and the way chemists and chemical engineers work together in industry. The astonishing developments in science and engineering during the 20th century have made it possible to dream of new goals that might previously have been considered unthinkable. This book identifies the key opportunities and challenges for the chemical sciences, from basic research to societal needs and from terrorism defense to environmental protection, and it looks at the ways in which chemists and chemical engineers can work together to contribute to an improved future.

Advances in Atomic, Molecular, and Optical Physics

Advances in Atomic, Molecular, and Optical Physics
Author:
Publisher: Academic Press
Total Pages: 455
Release: 2015-11-19
Genre: Science
ISBN: 012802335X

Advances in Atomic, Molecular, and Optical Physics provides a comprehensive compilation of recent developments in a field that is in a state of rapid growth, as new experimental and theoretical techniques are used on many problems, both old and new. Topics covered include related applied areas, such as atmospheric science, astrophysics, surface physics, and laser physics, with timely articles written by distinguished experts that contain relevant review material and detailed descriptions of important developments in the field. - Presents the work of international experts in the field - Comprehensive articles compile recent developments in a field that is experiencing rapid growth, with new experimental and theoretical techniques emerging - Ideal for users interested in optics, excitons, plasmas, and thermodynamics - Topics covered include atmospheric science, astrophysics, surface physics, and laser physics, amongst others

Computational Methods for Electron—Molecule Collisions

Computational Methods for Electron—Molecule Collisions
Author: Franco A. Gianturco
Publisher: Springer Science & Business Media
Total Pages: 374
Release: 2013-06-29
Genre: Science
ISBN: 1475797974

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.

Springer Handbook of Atomic, Molecular, and Optical Physics

Springer Handbook of Atomic, Molecular, and Optical Physics
Author: Gordon W. F. Drake
Publisher: Springer Nature
Total Pages: 1436
Release: 2023-02-09
Genre: Science
ISBN: 3030738930

Comprises a comprehensive reference source that unifies the entire fields of atomic molecular and optical (AMO) physics, assembling the principal ideas, techniques and results of the field. 92 chapters written by about 120 authors present the principal ideas, techniques and results of the field, together with a guide to the primary research literature (carefully edited to ensure a uniform coverage and style, with extensive cross-references). Along with a summary of key ideas, techniques, and results, many chapters offer diagrams of apparatus, graphs, and tables of data. From atomic spectroscopy to applications in comets, one finds contributions from over 100 authors, all leaders in their respective disciplines. Substantially updated and expanded since the original 1996 edition, it now contains several entirely new chapters covering current areas of great research interest that barely existed in 1996, such as Bose-Einstein condensation, quantum information, and cosmological variations of the fundamental constants. A fully-searchable CD- ROM version of the contents accompanies the handbook.

Advances in Atomic, Molecular, and Optical Physics

Advances in Atomic, Molecular, and Optical Physics
Author: Paul R. Berman
Publisher: Academic Press
Total Pages: 562
Release: 2011-10-03
Genre: Science
ISBN: 012385508X

Advances in Atomic, Molecular, and Optical Physics publishes reviews of recent developments in a field which is in a state of rapid growth, as new experimental and theoretical techniques are used on many old and new problems. Topics covered include related applied areas, such as atmospheric science, astrophysics, surface physics and laser physics. Articles are written by distinguished experts, and contain both relevant review material and detailed descriptions of important recent developments. International experts Comprehensive articles New developments

Advances in Atomic, Molecular, and Optical Physics

Advances in Atomic, Molecular, and Optical Physics
Author: Benjamin Bederson
Publisher: Gulf Professional Publishing
Total Pages: 429
Release: 2002-12-09
Genre: Science
ISBN: 012003848X

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 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 and detailed descriptions of important recent developments.

Recent Studies in Atomic and Molecular Processes

Recent Studies in Atomic and Molecular Processes
Author: Arthur E. Kingston
Publisher: Springer Science & Business Media
Total Pages: 222
Release: 2012-12-06
Genre: Science
ISBN: 146845398X

Sir David Bates celebrated his seventieth birthday on the 18th November 1986. To mark this event a conference was held in the David Bates building at The Queen's University of Belfast on the 17th and 18th November 1986. At this conference ex-students and colleagues of Sir David, who are acknowledged world experts in their field of research, gave in depth reviews of a particular area of atomic and molecular physics. This book on the conference presents a unique account of recent studies in atomic and molecular processes in a wide range of research fields. This volume is dedicated to Sir David by his friends as a token of their affection and respect. It is hoped that it will provide a useful summary of current research in atomic and molecular physics and that it will also show the great contribution which Sir David made to atomic and molecular physics. This conference was supported by the USAF European Office of Aerospace Research and Development who we wish to thank for their generous support. Arthur E. Kingston v CONTENTS Interstellar Cloud Chemistry Revisited 1 D.R. Bates Photo-ionisation of Atomic Oxygen . . . . . . . . . • • . • • • 29 M.J. Seaton The Formation of Complex Interstellar Molecules • • • • • . . .