Download or read book Electron Correlation in Molecules written by S. Wilson and published by Courier Corporation. This book was released on 2007-05-11 with total page 305 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text addresses one of theoretical chemistry's central problems. Topics include molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, and related topics. 1984 edition.
Download or read book Fast Ion atom and Ion molecule Collisions written by Dzevad Belkic and published by World Scientific. This book was released on 2013 with total page 335 pages. Available in PDF, EPUB and Kindle. Book excerpt: The principal goal of this book is to provide state-of-the-art coverage of the non-relativistic three- and four-body theories at intermediate and high energy ion-atom and ion-molecule collisions. The focus is on the most frequently studied processes: electron capture, ionization, transfer excitation and transfer ionization. The content is suitable both for graduate students and experienced researchers. For these collisions, the literature has seen enormous renewal of activity in the development and applications of quantum-mechanical theories. This subject is of relevance in several branches of science and technology, like accelerator-based physics, the search for new sources of energy and high temperature fusion of light ions. Other important applications are in life sciences via medicine, where high-energy ion beams are used in radiotherapy for which a number of storage ring accelerators are in full operation, under construction or planned to be built worldwide. Therefore, it is necessary to review this field for its most recent advances with an emphasis on the prospects for multidisciplinary applications.This book is accompanied by Interdisciplinary Research on Particle Collisions and Quantitative Spectroscopy Volume 2 - Fast Collisions of Light Ions with Matter: Charge Exchange and Ionization.
Download or read book NBS Special Publication written by and published by . This book was released on 1976 with total page 212 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Scattering Two Volume Set written by E. R. Pike and published by Elsevier. This book was released on 2001-10-09 with total page 1831 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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
Download or read book The Effects of Relativity in Atoms Molecules and the Solid State written by Stephen Wilson and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 341 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent years have seen a growing interest in the effects of relativity in atoms, molecules and solids. On the one hand, this can be seen as result of the growing awareness of the importance of relativity in describing the properties of heavy atoms and systems containing them. This has been fueled by the inadequacy of physical models which either neglect relativity or which treat it as a small perturbation. On the other hand, it is dependent upon the technological developments which have resulted in computers powerful enough to make calculations on heavy atoms and on systems containing heavy atoms meaningful. Vector processing and, more recently, parallel processing techniques are playing an increasingly vital role in rendering the algorithms which arise in relativistic studies tractable. This has been exemplified in atomic structure theory, where the dominant role of the central nuclear charge simplifies the problem enough to permit some prediction to be made with high precision, especially for the highly ionized atoms of importance in plasma physics and in laser confinement studies. Today's sophisticated physical models of the atom derived from quantum electrodynamics would be intractable without recourse to modern computational machinery. Relativistic atomic structure calculations have a history dating from the early attempts of Swirles in the mid 1930's but continue to provide one of the primary test beds of modern theoretical physics.
Download or read book Electron molecule Scattering written by Sanborn Conner Brown and published by John Wiley & Sons. This book was released on 1979 with total page 228 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Physics Briefs written by and published by . This book was released on 1994 with total page 916 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Practical Aspects of Computational Chemistry I written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-01-02 with total page 687 pages. Available in PDF, EPUB and Kindle. Book excerpt: Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends gathers the advances made within the last 20 years by well-known experts in the area of theoretical and computational chemistry and physics. The title itself reflects the celebration of the twentieth anniversary of the “Conference on Current Trends in Computational Chemistry (CCTCC)” to which all authors have participated and contributed to its success. This volume poses (and answers) important questions of interest to the computational chemistry community and beyond. What is the historical background of the “Structural Chemistry”? Is there any way to avoid the problem of intruder state in the multi-reference formulation? What is the recent progress on multi-reference coupled cluster theory? Starting with a historical account of structural chemistry, the book focuses on the recent advances made in promising theories such as many body Brillouin-Wigner theory, multireference state-specific coupled cluster theory, relativistic effect in chemistry, linear and nonlinear optical properties of molecules, solution to Kohn-Sham problem, electronic structure of solid state materials, development of model core potential, quantum Monte Carlo method, nano and molecular electronics, dynamics of photodimerization and excited states, intermolecular interactions, hydrogen bonding and non-hydrogen bonding interactions, conformational flexibility, metal cations in zeolite catalyst and interaction of nucleic acid bases with minerals. Practical Aspects of Computational Chemistry I: An Overview of the Last Two Decades and Current Trends is aimed at theoretical and computational chemists, physical chemists, materials scientists, and particularly those who are eager to apply computational chemistry methods to problem of chemical and physical importance. This book will provide valuable information to undergraduate, graduate, and PhD students as well as to established researchers.
Download or read book Atomic Molecular and Optical Science written by National Research Council and published by National Academies Press. This book was released on 1994-02-01 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book responds to the call for a clear description of the role of basic science in meeting societal needs. It gives examples of societal benefits of atomic, molecular, and optical (AMO) science in a number of key areas, including industrial technology, information technology, energy, global change, defense, health and medical technology, space technology, and transportation. This volume highlights the role of lasers in trapping, cooling, and manipulating individual atoms and molecules to make possible ultraprecise atomic clocks, structural engineering at the atomic level (nanotechnology), and new approaches to the study of deoxyribonucleic acid (DNA). AMO science is shown to be a field that is both an intellectually important basic science and a powerful enabling science that supports many other areas of science and technology.
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1976 with total page 1292 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Machine Learning in Molecular Sciences written by Chen Qu and published by Springer Nature. This book was released on 2023-11-02 with total page 323 pages. Available in PDF, EPUB and Kindle. Book excerpt: Machine learning and artificial intelligence have propelled research across various molecular science disciplines thanks to the rapid progress in computing hardware, algorithms, and data accumulation. This book presents recent machine learning applications in the broad research field of molecular sciences. Written by an international group of renowned experts, this edited volume covers both the machine learning methodologies and state-of-the-art machine learning applications in a wide range of topics in molecular sciences, from electronic structure theory to nuclear dynamics of small molecules, to the design and synthesis of large organic and biological molecules. This book is a valuable resource for researchers and students interested in applying machine learning in the research of molecular sciences.
Download or read book Recent Studies inPerturbation Theory written by Dimo Uzunov and published by BoD – Books on Demand. This book was released on 2017-06-14 with total page 202 pages. Available in PDF, EPUB and Kindle. Book excerpt: The book contains seven chapters written by noted experts and young researchers who present their recent studies of both pure mathematical problems of perturbation theories and application of perturbation methods to the study of the important topic in physics, for example, renormalization group theory and applications to basic models in theoretical physics (Y. Takashi), the quantum gravity and its detection and measurement (F. Bulnes), atom-photon interactions (E. G. Thrapsaniotis), treatment of spectra and radiation characteristics by relativistic perturbation theory (A. V. Glushkov et al), and Green's function theory and some applications (Jing Huang). The pure mathematical issues are related to the problem of generalization of the boundary layer function method for bisingularly perturbed differential equations (K. Alymkulov and D. A. Torsunov) and to the development of new homotopy asymptotic methods and some of their applications (Baojian Hong).
Download or read book Advances in the Theory of Atomic and Molecular Systems written by Piotr Piecuch and published by Springer Science & Business Media. This book was released on 2009-09-30 with total page 447 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in the Theory of Atomic and Molecular Systems, is a collection of contributions presenting recent theoretical and computational developments that provide new insights into the structure, properties, and behavior of a variety of atomic and molecular systems. This volume (subtitled: Conceptual and Computational Advances in Quantum Chemistry) focuses on electronic structure theory and its foundations. This volume is an invaluable resource for faculty, graduate students, and researchers interested in theoretical and computational chemistry and physics, physical chemistry and chemical physics, molecular spectroscopy, and related areas of science and engineering.
Download or read book Energetics of Stable Molecules and Reactive Intermediates written by M.E. Minas da Piedade and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 452 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers the major experimental and theoretical methods currently used to study the energetics of stable molecules and reactive intermediates. Reviews the ate of the art and shows the interplay of experimental and theoretical methods used to probe bonding energetics and reactivity and a wide range of chemical species. A modern and invaluable introduction to the study of molecular energetics. A reference for workers currently involved in the field.
Download or read book Quantum Systems in Chemistry and Physics written by Alfonso Hernández-Laguna and published by Springer Science & Business Media. This book was released on 2006-04-11 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: These two volumes collect forty-four selected papers from the scientific contributions presented at the Third European Workshop on Quantum Systems in Chemistry and Physics, held in Granada (Spain), April 19–22, 1998. Ninety-nine scientists from Bulgaria, Columbia, Cuba, Denmark, Finland, France, Germany, Hungary, Israel, Italy, Mexico, Netherlands, Norway, Poland, Russia, Slovakia, Spain, Sweden, United Ki- dom, Uruguay and Venezuela attended the workshop, discussing the state of the art, new trends, and future evolution of the methods and applications. The workshop took place at the ‘Los Alixares’ Hotel, where 45 lectures were given by prominent members of the scientific community; in addition, 49 posters were presented in two very animated sessions. The success of this workshop is due, without doubt, to the excellent tradition initiated at the previous workshops, organised by Prof. R. McWeeny in San Miniato, Pisa (Italy), 1996, and by Prof. S. Wilson in Oxford (United Kingdom), 1997. These workshops create occasions for meetings and disc- sions on the current state of the art, emerging methods and applications and new trends in this area of science. The three meetings were sponsored and partially supported by the European Union (EU) in the frame of the Cooperation in Science and Technology (COST) chemistry actions.
Download or read book Computational Chemistry written by Jerzy Leszczynski and published by World Scientific. This book was released on 2000 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume comprises six chapters which explore the development and applications of the methods of computational chemistry. The first chapter is on new developments in coupled-cluster (CC) theory. The homotopy method is used to obtain complete sets of solutions of nonlinear CC equations. The correspondence between multiple solutions to the CCSD, CCSDT, and full CI equations is established, and the applications of the new approach in modeling molecular systems are discussed. The second chapter reviews the computational theory for the time-dependent calculations of a solution to the Schrodinger equation for two electrons and focuses on the development of propagators to the solution. The next chapter features a discussion on a new self-consistent field for molecular interactions (SCF-MI) scheme for modifying Roothaan equations in order to avoid basis set superposition errors (BSSE). This method is especially suitable for computations of intermolecular interactions. Details of the theory, alongwith examples of applications to nucleic acid base pair complexes, are given. This chapter is well complemented by the following chapter, which reports the current status of computational studies of aromatic stacking and hydrogen bonding interactions among nucleic acid bases. The next chapter reveals the possibility of calculating the kinetics of chemical reactions in biological systems from the first principles. The last chapter reviews the results of rigorous ab initio studies of the series of derivatives of methane, silane, and germane. The presented molecular and vibrational parameters complement experimental data for these systems. In addition, the theoretical approach allows the predictionof the effects of halogeno-substitutions on their structures and properties.
Download or read book Energy Research Abstracts written by and published by . This book was released on 1989 with total page 434 pages. Available in PDF, EPUB and Kindle. Book excerpt:
