Download or read book Potential Energy Surfaces and Dynamics Calculations written by Donald Truhlar and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 859 pages. Available in PDF, EPUB and Kindle. Book excerpt: The present volume is concerned with two of the central questions of chemical dynamics. What do we know about the energies of interaction of atoms and molecules with each other and with solid surfaces? How can such interaction energies be used to understand and make quantitative predictions about dynamical processes like scattering, energy transfer, and chemical reactions? It is becoming clearly recognized that the computer is leading to rapid progress in answering these questions. The computer allows probing dynamical mechanisms in fine detail and often allows us to answer questions that cannot be addressed with current experimental techniques. As we enter the 1980's, not only are more powerful and faster computers being used, but techniques and methods have been honed to a state where exciting and reliable data are being generated on a variety of systems at an unprecedented pace. The present volume presents a collection of work that illustrates the capabilities and some of the successes of this kind of computer-assisted research. In a 1978 Chemical Society Report, Frey and Walsh pointed out that "it is extremely doubtful if a calculated energy of activation for any unimolecular decomposition can replace an experimental deter mination. " However they also recorded that they "believe[d] that some of the elaborate calculations being performed at present do suggest that we may be approaching a time when a choice between reaction mechanisms will be helped by such [computational] work.
Download or read book Numerical Grid Methods and Their Application to Schr dinger s Equation written by C. Cerjan and published by Springer Science & Business Media. This book was released on 2013-06-29 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: The use of numerical grid methods to solve the Schrodinger equation has rapidly evolved in the past decade.The early attempts to demonstrate the computational viability of grid methods have been largely superseded by applications to specific problems and deeper research into more sophisticated quadrature schemes. Underpinning this research, of course, is the belief that the generic nature of grid methods can enjoy a symbiotic development with advances in computer technology, harnessing this technology in an effective manner. The contributions to this proceedings demonstrate these points in full: several appli cations displayed creative use and extension of existing grid methodology; other research concentrated on the development of new quadrature schemes or mixed numerical meth ods. The research represented ranges from highly specific spectral simulations of van der Waals complexs to general schemes for reactive scattering. The novelty of grid methods in Density Functional Theory calculations should also be highlighted since it represents an alternative to standard basis set expansion techniques and might offer distinct advantages to the standard techniques. A deliberate attempt was made to present research material with more motivational and background discussion than is typical of research publications. It is hoped that these contributed proceedings will be useful to students and researchers outside the field to have a rapid and complete introduction to many of the exciting uses of grid methodology in atomic and molecular physics. Special thanks are due to the NATO Science Committee for its generous support of the activities of this workshop.
Download or read book Rarefied Gas Dynamics written by Bernie D. Shizgal and published by AIAA. This book was released on 1994 with total page 670 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Quantum Non integrability written by Da-hsuan Feng and published by World Scientific. This book was released on 1992-09-30 with total page 562 pages. Available in PDF, EPUB and Kindle. Book excerpt: Recent developments in nonlinear dynamics has significantly altered our basic understanding of the foundations of classical physics. However, it is quantum mechanics, not classical mechanics, which describes the motion of the nucleons, atoms, and molecules in the microscopic world. What are then the quantum signatures of the ubiquitous chaotic behavior observed in classical physics? In answering this question one cannot avoid probing the deepest foundations connecting classical and quantum mechanics. This monograph reviews some of the most current thinkings and developments in this exciting field of physics.
Download or read book Fundamental Aspects of Quantum Theory written by Vittorio Gorini and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 455 pages. Available in PDF, EPUB and Kindle. Book excerpt: Thi's book collects the contributions to the NATO Advanced Research WJrkshop on "FundaIrental Aspects of Quantum 'Iheory," held at the Centro di Cultura Scientifica "Alessandro Volta," Villa Olma, Carro, Italy, 2-7 September 1985. The rreeting was dedicated to the rremory of the late pro fessor Piero Caldirola, a prominent member of the Physics Departrrent of the University of r1ilan and a native of Como. The aim of the workshop has been to present several recent experi rrental results and theoretical developrrents concerning the various fa cets of quantum physics. The breadth of scope of the rreeting was in accordance with Professor Caldirola's vast scientific interests, and fostered communication among experirrental physicists, theoretical and mathematical physicists, and nEthematicians, working in different but related fields. Indeed, lectu rers endeavoured to make their contributions understandable to people acquainted with the problem but not necessarily familiar with the tech nical details; and these efforts were successful, as indicated by the frequent private discussions which took place among participants belon ging to different breeds and brands. 1ne rreeting was made up of six one-day sessions, each of them addres sing to a specific aspect of quantum theory: 1. General Problems and Crucial Experinents; with emphasis on sin gle-particle interference eh rirrents of neutrons and of photons, and on the rreasurerrent problem. 2. Quantization and Stochastic Processes; including stochastic quan tization of gauge fields, stochastic description of supersyrnmetric fields, quantum stochastic calculus and stochastic mechanics."
Download or read book Dynamics of Molecular Collisions written by W. Miller and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 391 pages. Available in PDF, EPUB and Kindle. Book excerpt: Activity in any theoretical area is usually stimulated by new experimental techniques and the resulting opportunity of measuring phenomena that were previously inaccessible. Such has been the case in the area under consideration he re beginning about fifteen years aga when the possibility of studying chemical reactions in crossed molecular beams captured the imagination of physical chemists, for one could imagine investigating chemical kinetics at the same level of molecular detail that had previously been possible only in spectroscopic investigations of molecular stucture. This created an interest among chemists in scattering theory, the molecular level description of a bimolecular collision process. Many other new and also powerful experimental techniques have evolved to supplement the molecular be am method, and the resulting wealth of new information about chemical dynamics has generated the present intense activity in molecular collision theory. During the early years when chemists were first becoming acquainted with scattering theory, it was mainly a matter of reading the physics literature because scattering experiments have long been the staple of that field. It was natural to apply the approximations and models that had been developed for nuclear and elementary particle physics, and although some of them were useful in describing molecular collision phenomena, many were not.
Download or read book Advances in Atomic and Molecular Physics written by and published by Academic Press. This book was released on 1989-04-01 with total page 583 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Atomic and Molecular Physics
Download or read book The Physics of Phase Space written by Young S. Kim and published by Springer. This book was released on 2005-09-13 with total page 457 pages. Available in PDF, EPUB and Kindle. Book excerpt: The concept of phase space plays a decisive role in the study of the transition from classical to quantum physics. This is particularly the case in areas such as nonlinear dynamics and chaos, geometric quantization and the study of the various semi-classical theories, which are the setting of the present volume. Much of the content is devoted to the study of the Wigner distribution. This volume gives the first complete survey of the progress made by both mathematicians and physicists. It will serve as an excellent reference for further research.
Download or read book Dynamics of Molecules and Chemical Reactions written by Robert Wyatt and published by CRC Press. This book was released on 1996-06-27 with total page 692 pages. Available in PDF, EPUB and Kindle. Book excerpt: Covers both molecular and reaction dynamics. The work presents important theroetical and computational approaches to the study of energy transfer within and between molecules, discussing the application of these approaches to problems of experimental interest. It also describes time-dependent and time-independent methods, variational and perturbative techniques, iterative and direct approaches, and methods based upon the use of physical grids of finite sets of basic function.
Download or read book Naval Research Reviews written by and published by . This book was released on 1986 with total page 620 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Cohesion written by J. S. Rowlinson and published by Cambridge University Press. This book was released on 2005-06-30 with total page 343 pages. Available in PDF, EPUB and Kindle. Book excerpt: Why does matter stick together? Why do gases condense to liquids, and liquids to solids? This book provides a detailed historical account of how some of the leading scientists of the past three centuries have tried to answer these questions.
Download or read book Modern Methods For Multidimensional Dynamics Computations In Chemistry written by Donald L Thompson and published by World Scientific. This book was released on 1998-04-15 with total page 746 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume describes many of the key practical theoretical techniques that have been developed to treat chemical dynamics problems in many-atom systems. It contains thorough treatments of fundamental theory and prescriptions for performing computations. The selection of methods, ranging from gas phase bimolecular reactions to complex processes in condensed phases, reflects the breadth of the field.The book is an excellent reference for proven and accepted methods as well as for theoretical approaches that are still being developed. It is appropriate for graduate students and other “novices” who wish to begin working in chemical dynamics as well as active researchers who wish to acquire a wider knowledge of the field.
Download or read book Papers from the Symposium on Collision Phenomena in Astrophysics Geophysics and Masers written by M. J. Seaton and published by . This book was released on 1961 with total page 36 pages. Available in PDF, EPUB and Kindle. Book excerpt: This publication comprises three papers on astrophysical and geophysical problems that were presented at a special symposium at the National Bureau of Standards Boulder (Colo.) Laboratories in June 1961. The speakers spoke on the question: What are the most important atomic and molecular data needed by theoreticians for progress in astrophysics, geophysics and gas lasers?
Download or read book Kinetics and Dynamics of Elementary Gas Reactions written by Ian W. M. Smith and published by Butterworth-Heinemann. This book was released on 2013-10-22 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Kinetics and Dynamics of Elementary Gas Reactions surveys the state of modern knowledge on elementary gas reactions to understand natural phenomena in terms of molecular behavior. Part 1 of this book describes the theoretical and conceptual background of elementary gas-phase reactions, emphasizing the assumptions and limitations of each theoretical approach, as well as its strengths. In Part 2, selected experimental results are considered to demonstrate the scope of present day techniques and illustrate the application of the theoretical ideas introduced in Part 1. This publication is intended primarily for working kineticists and chemists, but is also beneficial to graduate students.
Download or read book Atoms in Astrophysics written by P. Burke and published by Springer Science & Business Media. This book was released on 2013-03-07 with total page 367 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Quantum Mechanical Studies of Transition States and Calculations of Free Energies written by Jay Srinivasan and published by . This book was released on 1999 with total page 352 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Quantal Calculations of Certain Reaction Rates with Applications to Astrophysical and Geophysical Problems written by and published by . This book was released on 1951 with total page 414 pages. Available in PDF, EPUB and Kindle. Book excerpt:
