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Dimensional Scaling In Chemical Physics
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Book Synopsis Dimensional Scaling in Chemical Physics by : D.R. Herschbach
Download or read book Dimensional Scaling in Chemical Physics written by D.R. Herschbach and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 507 pages. Available in PDF, EPUB and Kindle. Book excerpt: Dimensional scaling offers a new approach to quantum dynamical correlations. This is the first book dealing with dimensional scaling methods in the quantum theory of atoms and molecules. Appropriately, it is a multiauthor production, derived chiefly from papers presented at a workshop held in June 1991 at the Ørsted Institute in Copenhagen. Although focused on dimensional scaling, the volume includes contributions on other unorthodox methods for treating nonseparable dynamical problems and electronic correlation. In shaping the book, the editors serve three needs: an introductory tutorial for this still fledgling field; a guide to the literature; and an inventory of current research results and prospects. Part I treats basic aspects of dimensional scaling. Addressed to readers entirely unfamiliar with the subject, it provides both a qualitative overview, and a tour of elementary quantum mechanics. Part II surveys the research frontier. The eight chapters exemplify current techniques and outline results. Part III presents other methods, including nonseparable dynamics, and electron correlation in pseudomolecular excited states of atoms. Although procrustean conformity was not imposed, unifying and complementary themes are emphasized throughout the book.
Book Synopsis Physical Chemistry and Chemical Physics Editor's Pick 2021 by : Malgorzata Biczysko
Download or read book Physical Chemistry and Chemical Physics Editor's Pick 2021 written by Malgorzata Biczysko and published by Frontiers Media SA. This book was released on 2021-07-28 with total page 193 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis Advances in Chemical Physics by : Ilya Prigogine
Download or read book Advances in Chemical Physics written by Ilya Prigogine and published by John Wiley & Sons. This book was released on 2003-04-23 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Chemical Physics covers recent advances at the cutting edge of research relative to chemical physics. The series, Advances in Chemical Physics, provides a forum for critical, authoritative evaluations of advances in every area of the discipline.
Book Synopsis Advances in Quantum Chemistry by : Erkki J. Brändas
Download or read book Advances in Quantum Chemistry written by Erkki J. Brändas and published by Elsevier. This book was released on 2004-12-01 with total page 517 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, and chemistry. With invited reviews written by leading international researchers, as well as regular thematic issues, each volume presents new results and provides a single vehicle for following progress in this interdisciplinary area. Volume 47 is a tribute in honor of Professor Osvaldo Goscinski. The volume will look at the accomplishments of a man who has led a remarkable development within the field and developed and strengthened scientific networks in Quantum Chemistry and Chemical Physics. Provides a tribute in honor of Professor Osvaldo Goscinski, a man who has led a remarkable development within the field
Book Synopsis Many-Electron Approaches in Physics, Chemistry and Mathematics by : Volker Bach
Download or read book Many-Electron Approaches in Physics, Chemistry and Mathematics written by Volker Bach and published by Springer. This book was released on 2014-07-01 with total page 410 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective. In the context of studying many-electron systems Computer Science, Chemistry, Mathematics and Physics are all intimately interconnected. However, beyond a handful of communities working at the interface between these disciplines, there is still a marked separation of subjects. This book seeks to offer a common platform for possible exchanges between the various fields and to introduce the reader to perspectives for potential further developments across the disciplines. The rapid advances of modern technology will inevitably require substantial improvements in the approaches currently used, which will in turn make exchanges between disciplines indispensable. In essence this book is one of the very first attempts at an interdisciplinary approach to the many-electron problem.
Download or read book The Chemical Bond written by Ahmed Zewail and published by Elsevier. This book was released on 1992-05-14 with total page 313 pages. Available in PDF, EPUB and Kindle. Book excerpt: This inspired book by some of the most influential scientists of our time--including six Nobel laureates--chronicles our emerging understanding of the chemical bond through the last nine decades and into the future. From Pauling's early structural work using x-ray and electron diffraction to Zewail's femtosecond lasers that probe molecular dynamics in real time; from Crick's molecular biology to Rich's molecular recognition, this book explores a rich tradition of scientific heritage and accomplishment. The perspectives given by Pauling, Perutz, Rich, Crick, Porter, Polanyi, Herschbach, Zewail, and Bernstein celebrate major scientific achievements in chemistry and biology with the chemical bond playing a fundamental role. In a unique presentation that also provides some lively insights into the very nature of scientific thought and discovery, The Chemical Bond: Structure and Dynamics will be of general interest to scientists, science historians, and the scientifically inclined populous.
Book Synopsis Symmetry-Adapted Basis Sets by : John Scales Avery
Download or read book Symmetry-Adapted Basis Sets written by John Scales Avery and published by World Scientific. This book was released on 2011-10-31 with total page 240 pages. Available in PDF, EPUB and Kindle. Book excerpt: In theoretical physics, theoretical chemistry and engineering, one often wishes to solve partial differential equations subject to a set of boundary conditions. This gives rise to eigenvalue problems of which some solutions may be very difficult to find. For example, the problem of finding eigenfunctions and eigenvalues for the Hamiltonian of a many-particle system is usually so difficult that it requires approximate methods, the most common of which is expansion of the eigenfunctions in terms of basis functions that obey the boundary conditions of the problem. The computational effort needed in such problems can be much reduced by making use of symmetry-adapted basis functions. The conventional method for generating symmetry-adapted basis sets is through the application of group theory, but this can be difficult. This book describes an easier method for generating symmetry-adapted basis sets automatically with computer techniques. The method has a wide range of applicability, and can be used to solve difficult eigenvalue problems in a number of fields. The book is of special interest to quantum theorists, computer scientists, computational chemists and applied mathematicians. Contents:General ConsiderationsExamples from Atomic PhysicsExamples from Quantum ChemistryGeneralized Sturmians Applied to AtomsMolecular Orbitals Based on SturmiansAn Example from AcousticsAn Example from Heat ConductionSymmetry-Adapted Solutions by Iteration Readership: Researchers in quantum physics, theoretical/quantum chemistry and numerical and computational mathematics. Keywords:Group Theory;Quantum Theory;Configuration Interaction;Computational Algorithms;Generalized SturmiansKey Features:The book describes easy algorithms for automatic generation of symmetry-adapted basis functionsIt also discusses the Generalized Sturmian Method and its applications to both atomic and molecular calculations. The method leads to automatic scaling of basis functionsA new method is introduced which applies hyperspherical harmonic theory to the rapid calculation of interelectron repulsion integrals involving exponential-type orbitals
Book Synopsis Statistical Complexity by : K.D. Sen
Download or read book Statistical Complexity written by K.D. Sen and published by Springer Science & Business Media. This book was released on 2011-08-27 with total page 304 pages. Available in PDF, EPUB and Kindle. Book excerpt: The understanding of electron density as the carrier of all the information of a multielectronic system is implicit in the theorems of density functional theory. Information theoretical based measures giving a quantitative understanding of statistical complexity of such systems is shaping up as a new area of research in chemical physics. This book is the first monograph of its kind covering the aspects of complexity measure in atoms and molecules.
Book Synopsis Mathematical Challenges from Theoretical/Computational Chemistry by : National Research Council
Download or read book Mathematical Challenges from Theoretical/Computational Chemistry written by National Research Council and published by National Academies Press. This book was released on 1995-04-29 with total page 144 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational methods are rapidly becoming major tools of theoretical, pharmaceutical, materials, and biological chemists. Accordingly, the mathematical models and numerical analysis that underlie these methods have an increasingly important and direct role to play in the progress of many areas of chemistry. This book explores the research interface between computational chemistry and the mathematical sciences. In language that is aimed at non-specialists, it documents some prominent examples of past successful cross-fertilizations between the fields and explores the mathematical research opportunities in a broad cross-section of chemical research frontiers. It also discusses cultural differences between the two fields and makes recommendations for overcoming those differences and generally promoting this interdisciplinary work.
Download or read book Advances in Quantum Chemistry written by and published by Academic Press. This book was released on 1999-10-18 with total page 394 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Quantum Chemistry publishes articles and invited reviews by leading international researchers in quantum chemistry. Quantum chemistry deals particularly with the electronic structure of atoms, molecules, and crystalline matter and describes it in terms of electron wave patterns. It uses physical and chemical insight, sophisticated mathematics and high-speed computers to solve the wave equations and achieve its results. Advances highlights these important, interdisciplinary developments.
Book Synopsis Quantum Information and Computation for Chemistry, Volume 154 by : Sabre Kais
Download or read book Quantum Information and Computation for Chemistry, Volume 154 written by Sabre Kais and published by John Wiley & Sons. This book was released on 2014-01-31 with total page 522 pages. Available in PDF, EPUB and Kindle. Book excerpt: Examines the intersection of quantum information and chemical physics The Advances in Chemical Physics series is dedicated to reviewing new and emerging topics as well as the latest developments in traditional areas of study in the field of chemical physics. Each volume features detailed comprehensive analyses coupled with individual points of view that integrate the many disciplines of science that are needed for a full understanding of chemical physics. This volume of the series explores the latest research findings, applications, and new research paths from the quantum information science community. It examines topics in quantum computation and quantum information that are related to or intersect with key topics in chemical physics. The reviews address both what chemistry can contribute to quantum information and what quantum information can contribute to the study of chemical systems, surveying both theoretical and experimental quantum information research within the field of chemical physics. With contributions from an international team of leading experts, Volume 154 offers seventeen detailed reviews, including: Introduction to quantum information and computation for chemistry Quantum computing approach to non-relativistic and relativistic molecular energy calculations Quantum algorithms for continuous problems and their applications Photonic toolbox for quantum simulation Vibrational energy and information transfer through molecular chains Tensor networks for entanglement evolution Reviews published in Advances in Chemical Physics are typically longer than those published in journals, providing the space needed for readers to fully grasp the topic: the fundamentals as well as the latest discoveries, applications, and emerging avenues of research. Extensive cross-referencing enables readers to explore the primary research studies underlying each topic.
Book Synopsis Generalized Sturmians And Atomic Spectra by : John Scales Avery
Download or read book Generalized Sturmians And Atomic Spectra written by John Scales Avery and published by World Scientific. This book was released on 2006-11-14 with total page 258 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book describes the generalized Sturmian method, which offers a fresh approach to the calculation of atomic spectra. Generalized Sturmians are isoenergetic solutions to an approximate many-electron Schrödinger equation with a weighted potential. The weighting factors are chosen in such a way as to make all of the solutions correspond to a given energy. The advantage of such an isoenergetic basis set is that every basis function has the correct turning point behavior needed for efficient synthesis of the wave function.The book also discusses methods for automatic generation of symmetry-adapted basis sets. Calculations using the generalized Sturmian method are presented and compared with experimental results from the NIST database. The relationship of Sturmians to harmonic polynomials and hyperspherical harmonics is also described. Methods for treating angular functions and angular integrals by means of harmonic projection are discussed, and these methods are shown to be especially useful for relativistic calculations. A final chapter discusses application of the generalized Sturmian method to the calculation of molecular spectra.
Book Synopsis Advances in Atomic, Molecular, and Optical Physics by :
Download or read book Advances in Atomic, Molecular, and Optical Physics written by and published by Elsevier. This book was released on 2005-12-20 with total page 614 pages. Available in PDF, EPUB and Kindle. Book excerpt: Benjamin Bederson contributed to the world of physics in many areas: in atomic physics, where he achieved renown by his scattering and polarizability experiments, as the Editor-in-Chief for the American Physical Society, where he saw the introduction of electronic publishing and a remarkable growth of the APS journals, with ever increasing world-wide contributions to these highly esteemed journals, and as the originator of a number of international physics conferences in the fields of atomic and collision physics, which are continuing to this day. Bederson was also a great teacher and university administrator. The first part of this volume of Advances in Atomic, Molecular, and Optical Physics (AAMOP), entitled Benjamin Bederson: Works, Comments and Legacies, contains articles written from a personal perspective. His days at Los Alamos during World War II, working on the A bomb, are recounted by V. Fitch. H. Walther writes on the time when both were editors of AAMOP. H. Lustig, E. Merzbacher and B. Crasemann, with whom Bederson had a long-term association at the American Physical Society, contribute their experiences, one of them in the style of a poem. C.D. Rice recalls his days when he was Dean of the Faculty of Arts and Science at NYU, and the education in physics that he received from Bederson, then Dean of the Graduate School. The contribution by R. Stuewer is on Bederson as physicist historian (his latest interest). N. Lane draws some parallels between "two civic scientists, Benjamin Bederson and the other Benjamin". The papers are introduced by H.H. Stroke, in an overview of Bederson's career. A biography and bibliography are included. The second part of the volume contains scientific articles on the Casimir effects (L. Spruch), dipole polarizabilities (X. Chu, A. Dalgarno), two-electron molecular bonds revisited (G. Chen, S.A. Chin, Y. Dou, K.T. Kapale, M. Kim, A.A. Svidzinsky, K. Uretkin, H. Xiong, M.O. Scully, and resonance fluorescence of two-level atoms (H. Walther). J. Pinard and H.H. Stroke review spectroscopy with radioactive atoms. T. Miller writes on electron attachment and detachment in gases, and, with H. Gould, on recent developments in the measurement of static electric dipole polarizabilities. R. Celotta and J.A. Stroscio's most recent work on trapping and moving atoms on surfaces is contributed here. C.C. Lin and J.B. Borrard's article is on electron-impact excitation cross sections. The late Edward Pollack wrote his last paper for this volume, Atomic and Ionic Collisions. L. Vuskovic and S. Popovi ́c write on atomic interactions in a weakly ionized gas and ionizing shock waves. The last scientific article is by H. Kleinpoppen, B. Lohmann, A. Grum-Grzhimailo and U. Becker on approaches to perfect/complete scattering in atomic and molecular physics. The book ends with an essay on teaching by R.E. Collins. Benjamin Bederson - Atomic Physicist, Civil Scientist The Physical Review and Its Editor Los Alamos in World War II - View from Below Physics in Poetry Casimir Effects - Pedagogical Notes Atomic Physics in Collisions, Polarizabilities, Gases, Atomic Physics and Radioactive Atoms Molecular Bond Revisited Resonance Fluorescence in 2-Level Atoms Trapping and Moving Atoms on Surfaces
Book Synopsis Solving the Schrödinger Equation by : Paul Popelier
Download or read book Solving the Schrödinger Equation written by Paul Popelier and published by World Scientific. This book was released on 2011-08-25 with total page 376 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Schrödinger equation is the master equation of quantum chemistry. The founders of quantum mechanics realised how this equation underpins essentially the whole of chemistry. However, they recognised that its exact application was much too complicated to be solvable at the time. More than two generations of researchers were left to work out how to achieve this ambitious goal for molecular systems of ever-increasing size. This book focuses on non-mainstream methods to solve the molecular electronic Schrödinger equation. Each method is based on a set of core ideas and this volume aims to explain these ideas clearly so that they become more accessible. By bringing together these non-standard methods, the book intends to inspire graduate students, postdoctoral researchers and academics to think of novel approaches. Is there a method out there that we have not thought of yet? Can we design a new method that combines the best of all worlds? Contents:Intracule Functional Theory (Deborah L Crittenden and Peter M W Gill)Explicitly Correlated Electronic Structure Theory (Frederick R Manby)Solving Problems with Strong Correlation Using the Density Matrix Renormalization Group (DMRG) (Garnet Kin-Lic Chan and Sandeep Sharma)Reduced-Density-Matrix Theory for Many-electron Correlation (David A Mazziotti)Finite Size Scaling for Criticality of the Schrödinger Equation (Sabre Kais)The Generalized Sturmian Method (James Avery and John Avery)Slater-Type Orbital Basis Sets: Reliable and Rapid Solution of the Schrödinger Equation for Accurate Molecular Properties (Philip E Hoggan)Modern Ab Initio Valence Bond Methods (Philippe C Hiberty & Sason Shaik)Quantum Monte Carlo Approaches for Tackling Electronic Correlation (Massimo Mella and Gabriele Morosi)Solving the Schrödinger Equation on Real-Space Grids and with Random Walks (Thomas L Beck and Joel H Dedrick)Changes in Dense Linear Algebra Kernels: Decades-Long Perspective (Piotr Luszczek, Jakub Kurzak, and Jack Dongarra) Readership: Graduate students, postdoctoral researchers and academics in the fields of computational chemistry, theoretical chemistry, super computing, molecular physics and solid state physics. Keywords:Quantum Mechanics;Quantum Chemistry;Molecular Electronic Schrödinger EquationKey Features:Unusual combination of methods/techniquesA thought-provoking and didactic exposé, not a review, nor a textbookLooks at the future
Book Synopsis Encyclopedia of Chemical Physics and Physical Chemistry by : John H. Moore
Download or read book Encyclopedia of Chemical Physics and Physical Chemistry written by John H. Moore and published by CRC Press. This book was released on 2023-07-03 with total page 1161 pages. Available in PDF, EPUB and Kindle. Book excerpt: The Encyclopedia of Physical Chemistry and Chemical Physics introduces possibly unfamiliar areas, explains important experimental and computational techniques, and describes modern endeavors. The encyclopedia quickly provides the basics, defines the scope of each subdiscipline, and indicates where to go for a more complete and detailed explanation. Particular attention has been paid to symbols and abbreviations to make this a user-friendly encyclopedia. Care has been taken to ensure that the reading level is suitable for the trained chemist or physicist. The encyclopedia is divided in three major sections: FUNDAMENTALS: the mechanics of atoms and molecules and their interactions, the macroscopic and statistical description of systems at equilibrium, and the basic ways of treating reacting systems. The contributions in this section assume a somewhat less sophisticated audience than the two subsequent sections. At least a portion of each article inevitably covers material that might also be found in a modern, undergraduate physical chemistry text. METHODS: the instrumentation and fundamental theory employed in the major spectroscopic techniques, the experimental means for characterizing materials, the instrumentation and basic theory employed in the study of chemical kinetics, and the computational techniques used to predict the static and dynamic properties of materials. APPLICATIONS: specific topics of current interest and intensive research. For the practicing physicist or chemist, this encyclopedia is the place to start when confronted with a new problem or when the techniques of an unfamiliar area might be exploited. For a graduate student in chemistry or physics, the encyclopedia gives a synopsis of the basics and an overview of the range of activities in which physical principles are applied to chemical problems. It will lead any of these groups to the salient points of a new field as rapidly as possible and gives pointers as to where to read about the topic in more detail.
Book Synopsis Issues in Specialized Chemical and Chemistry Topics: 2011 Edition by :
Download or read book Issues in Specialized Chemical and Chemistry Topics: 2011 Edition written by and published by ScholarlyEditions. This book was released on 2012-01-09 with total page 1316 pages. Available in PDF, EPUB and Kindle. Book excerpt: Issues in Specialized Chemical and Chemistry Topics: 2011 Edition is a ScholarlyEditions™ eBook that delivers timely, authoritative, and comprehensive information about Specialized Chemical and Chemistry Topics. The editors have built Issues in Specialized Chemical and Chemistry Topics: 2011 Edition on the vast information databases of ScholarlyNews.™ You can expect the information about Specialized Chemical and Chemistry Topics in this eBook to be deeper than what you can access anywhere else, as well as consistently reliable, authoritative, informed, and relevant. The content of Issues in Specialized Chemical and Chemistry Topics: 2011 Edition has been produced by the world’s leading scientists, engineers, analysts, research institutions, and companies. All of the content is from peer-reviewed sources, and all of it is written, assembled, and edited by the editors at ScholarlyEditions™ and available exclusively from us. You now have a source you can cite with authority, confidence, and credibility. More information is available at http://www.ScholarlyEditions.com/.
Book Synopsis Encyclopedia of Chemical Physics and Physical Chemistry: Fundamentals by : John H. Moore
Download or read book Encyclopedia of Chemical Physics and Physical Chemistry: Fundamentals written by John H. Moore and published by Taylor & Francis. This book was released on 2001 with total page 1178 pages. Available in PDF, EPUB and Kindle. Book excerpt:
