Computation of Atomic and Molecular Processes

Computation of Atomic and Molecular Processes PDF Author: Miron Ya. Amusia
Publisher: Springer Nature
ISBN: 3030851435
Category : Science
Languages : en
Pages : 464

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Book Description
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.

Computation of Atomic and Molecular Processes

Computation of Atomic and Molecular Processes PDF Author: Miron Ya. Amusia
Publisher: Springer Nature
ISBN: 3030851435
Category : Science
Languages : en
Pages : 464

Get Book Here

Book Description
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.

Principles of the Quantum Control of Molecular Processes

Principles of the Quantum Control of Molecular Processes PDF Author: Moshe Shapiro
Publisher:
ISBN: 9780471241843
Category : Science
Languages : en
Pages : 354

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Book Description
Principles and Applications of Quantum Contro Over the past fifteen years, significant developments have been made in utilizing quantum attributes of light and matter to assume unprecedented control over the dynamics of atomic and molecular systems. This growth reflects a confluence of factors including the maturation of quantum mechanics as a tool for chemistry and physics, the development of new laser devices increasing our ability to manipulate light, and the recognition that coherent laser light can be used to imprint information on atoms and molecules for practical purposes. Written by two of the world’s leading researchers in the field, Principles of the Quantum Control of Molecular Processes offers a systematic introduction to the fundamental principles of coherent control, and to the physics and chemistry necessary to master it Designed as both a resource for self-study and as a graduate textbook, this survey of the subject provides a step-by-step discussion of light-matter interactions along with coverage of such essential topics as: Molecular dynamics and control LI>The dynamics of photodissociation LI>Bimolecular collision processes LI>The control of chirality and asymmetric synthesis LI>Application of control using moderate and strong fields LI>Tuning the system and laser parameters to achieve optimal control LI>Decoherence and methods for countering it P>Both authoritative and comprehensive, this first in-depth treatment of coherent control is destined to become the standard reference in an increasingly influential field PAUL W. BRUMER, PhD, is University Professor–Theoretical Chemical Physics and holds the Roel Buck Chair in Chemical Physics at the University of Toronto. He received his BSc. from Brooklyn College and his PhD from Harvard University. MOSHE SHAPIRO, PhD, is the Jacques Mimran Professor of Chemical Physics at the Weizmann Institute of Science, Rehovot, Israel, and a Professor of Chemistry and Physics at the University of British Columbia. He received his BSc, MSc, and PhD from the Hebrew University of Jerusalem The authors are among the cofounders of the field of coherent control. They have published extensively on this and related subjects in chemical physics, and have received numerous awards and worldwide recognition for their research contributions.

Relativistic Quantum Theory of Atoms and Molecules

Relativistic Quantum Theory of Atoms and Molecules PDF Author: Ian P Grant
Publisher: Springer Science & Business Media
ISBN: 0387350691
Category : Science
Languages : en
Pages : 813

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Book Description
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.

Beyond the Molecular Frontier

Beyond the Molecular Frontier PDF Author: National Research Council
Publisher: National Academies Press
ISBN: 0309168392
Category : Science
Languages : en
Pages : 238

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Book Description
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 PDF Author:
Publisher: Elsevier
ISBN: 0080561446
Category : Science
Languages : en
Pages : 497

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Book Description
The latest volume in the highly acclaimed series addresses atomic collisions, assessing the status of the current knowledge, identifying deficiencies, and exploring ways to improve the quality of cross-section data.Eleven articles, written by foremost experts, focus on cross-section determination by experiment or theory, on needs in selected applications, and on efforts toward the compilation and dissemination of data. This is the first volume edited under the additional direction of Herbert Walther. Presents absolute cross sections for atomic collisions Uses benchmark measurements and benchmark calculations Discusses needs for cross-section data in applications Contains a guide to data resources, bibliographies, and compendia

Nuclear Science Abstracts

Nuclear Science Abstracts PDF Author:
Publisher:
ISBN:
Category : Nuclear energy
Languages : en
Pages : 1286

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Book Description


Energy Research Abstracts

Energy Research Abstracts PDF Author:
Publisher:
ISBN:
Category : Power resources
Languages : en
Pages : 986

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Book Description


Springer Handbook of Atomic, Molecular, and Optical Physics

Springer Handbook of Atomic, Molecular, and Optical Physics PDF Author: Gordon W. F. Drake
Publisher: Springer Nature
ISBN: 3030738930
Category : Science
Languages : en
Pages : 1436

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Book Description
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.

Methods in Computational Molecular Physics

Methods in Computational Molecular Physics PDF Author: Geerd H.F. Diercksen
Publisher: Springer Science & Business Media
ISBN: 9400972008
Category : Science
Languages : en
Pages : 367

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Book Description
This NATO Advanced Study Institute was concerned with modern ab initio methods for the determination of the electronic structure of molecules. Recent years have seen considerable progress in computer technology and computer science and these developments have had a very significant influence on computational molecular physics. Progress in computer technology has led to increasingly larger and faster systems as well as powerful minicomputers. Simultaneous research in computer science has explored new methods for the optimal use of these resources. To a large extent develop ments in computer technology, computer science and computational molecular physics have been mutually dependent. The availability of new computational resources, particularly minicomputers and, more recently, vector processors, has stimulat'ed a great deal of research in molecular physics. Well established techniques have been reformulated to make more efficient use of the new computer technology and algorithms which were previously computationally intractable have now been successfully implemented. This research has given a new and exciting insight into molecular structure and molecular processes by enabling smaller systems to be studied in greater detail and larger systems to be studied for the first time.

Atoms in Astrophysics

Atoms in Astrophysics PDF Author: P. Burke
Publisher: Springer Science & Business Media
ISBN: 1461335361
Category : Science
Languages : en
Pages : 367

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Book Description
It is hard to appreciate but nevertheless true that Michael John Seaton, known internationally for the enthusiasm and skill with which he pursues his research in atomic physics and astrophysics, will be sixty years old on the 16th of January 1983. To mark this occasion some of his colleagues and former students have prepared this volume. It contains articles that de scribe some of the topics that have attracted his attention since he first started his research work at University College London so many years ago. Seaton's association with University College London has now stretched over a period of some 37 years, first as an undergraduate student, then as a research student, and then, successively, as Assistant Lecturer, Lecturer, Reader, and Professor. Seaton arrived at University College London in 1946 to become an undergraduate in the Physics Department, having just left the Royal Air Force in which he had served as a navigator in the Pathfinder Force of Bomber Command. There are a number of stories of how his skill with instruments and the precision of his calcula tions, later to be so evident in his research, saved his crew from enemy action, and on one occasion, on a flight through the Alps, from a collision with Mount Blanc that at the time was shrouded in clouds.