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Author :
Publisher :
ISBN 13 :
Total Pages : 570 pages
Book Rating : 4.3/5 (243 download)
Download or read book OAR written by and published by . This book was released on 1967 with total page 570 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Y. L. Ping
Publisher : Nova Publishers
ISBN 13 : 9781594548642
Total Pages : 328 pages
Book Rating : 4.5/5 (486 download)
Download or read book Atomic and Molecular Cluster Research written by Y. L. Ping and published by Nova Publishers. This book was released on 2006 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: The physics of atomic and molecular clusters is interesting from many points of view. These systems bridge the domains of atomic and molecular physics on one side and condensed matter physics on the other. Their properties may be dominated by their large surface-to-volume ratio, giving a unique opportunity to study the interplay between surface and volume effects. They may exhibit a discrete spectroscopy because of their finite size. A major thrust in the development of high-tech materials can be described as atomic-scale engineering. In this process, materials are assembled on an almost atom by atom basis in order to obtain useful properties not found in naturally-occurring substances.
Author : Swapan Kumar Ghosh
Publisher : CRC Press
ISBN 13 : 1466506210
Total Pages : 345 pages
Book Rating : 4.4/5 (665 download)
Download or read book Concepts and Methods in Modern Theoretical Chemistry written by Swapan Kumar Ghosh and published by CRC Press. This book was released on 2016-04-19 with total page 345 pages. Available in PDF, EPUB and Kindle. Book excerpt: Concepts and Methods in Modern Theoretical Chemistry: Statistical Mechanics, the second book in a two-volume set, focuses on the dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, this book offers chapters written by experts in their fields. It enables readers to learn how concepts from ab initio quantum
Author : Swapan Kumar Ghosh
Publisher : CRC Press
ISBN 13 : 1482260689
Total Pages : 856 pages
Book Rating : 4.4/5 (822 download)
Download or read book Concepts and Methods in Modern Theoretical Chemistry, Two Volume Set written by Swapan Kumar Ghosh and published by CRC Press. This book was released on 2020-06-16 with total page 856 pages. Available in PDF, EPUB and Kindle. Book excerpt: Concepts and Methods in Modern Theoretical Chemistry, Two-Volume Set focuses on the structure and dynamics of systems and phenomena. A new addition to the series Atoms, Molecules, and Clusters, the two books offer chapters written by experts in their fields. They enable readers to learn how concepts from ab initio quantum chemistry, density functio
Author : F. J. Duarte
Publisher : BoD – Books on Demand
ISBN 13 : 9533072423
Total Pages : 702 pages
Book Rating : 4.5/5 (33 download)
Download or read book Coherence and Ultrashort Pulse Laser Emission written by F. J. Duarte and published by BoD – Books on Demand. This book was released on 2010-12-30 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this volume, recent contributions on coherence provide a useful perspective on the diversity of various coherent sources of emission and coherent related phenomena of current interest. These papers provide a preamble for a larger collection of contributions on ultrashort pulse laser generation and ultrashort pulse laser phenomena. Papers on ultrashort pulse phenomena include works on few cycle pulses, high-power generation, propagation in various media, to various applications of current interest. Undoubtedly, Coherence and Ultrashort Pulse Emission offers a rich and practical perspective on this rapidly evolving field.
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ISBN 13 :
Total Pages : 572 pages
Book Rating : 4.F/5 ( download)
Download or read book Air Force Research Resumés written by and published by . This book was released on with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : United States. Air Force. Office of Scientific Research
Publisher :
ISBN 13 :
Total Pages : 256 pages
Book Rating : 4.:/5 (42 download)
Download or read book AFOSR Research: the Current Research Program, and a Summary of Research Accomplishments written by United States. Air Force. Office of Scientific Research and published by . This book was released on 1967 with total page 256 pages. Available in PDF, EPUB and Kindle. Book excerpt: This report is designed to present the research programs of the Air Force Office of Scientific Research for the information of users of Air Force research, for scientific investigators working in the same or in allied fields, and for the military, scientific and academic, and Government communities at large.
Author : Trygve Helgaker
Publisher : John Wiley & Sons
ISBN 13 : 1119019559
Total Pages : 949 pages
Book Rating : 4.1/5 (19 download)
Download or read book Molecular Electronic-Structure Theory written by Trygve Helgaker and published by John Wiley & Sons. This book was released on 2014-08-11 with total page 949 pages. Available in PDF, EPUB and Kindle. Book excerpt: Ab initio quantum chemistry has emerged as an important tool in chemical research and is appliced to a wide variety of problems in chemistry and molecular physics. Recent developments of computational methods have enabled previously intractable chemical problems to be solved using rigorous quantum-mechanical methods. This is the first comprehensive, up-to-date and technical work to cover all the important aspects of modern molecular electronic-structure theory. Topics covered in the book include: * Second quantization with spin adaptation * Gaussian basis sets and molecular-integral evaluation * Hartree-Fock theory * Configuration-interaction and multi-configurational self-consistent theory * Coupled-cluster theory for ground and excited states * Perturbation theory for single- and multi-configurational states * Linear-scaling techniques and the fast multipole method * Explicity correlated wave functions * Basis-set convergence and extrapolation * Calibration and benchmarking of computational methods, with applications to moelcular equilibrium structure, atomization energies and reaction enthalpies. Molecular Electronic-Structure Theory makes extensive use of numerical examples, designed to illustrate the strengths and weaknesses of each method treated. In addition, statements about the usefulness and deficiencies of the various methods are supported by actual examples, not just model calculations. Problems and exercises are provided at the end of each chapter, complete with hints and solutions. This book is a must for researchers in the field of quantum chemistry as well as for nonspecialists who wish to acquire a thorough understanding of ab initio molecular electronic-structure theory and its applications to problems in chemistry and physics. It is also highly recommended for the teaching of graduates and advanced undergraduates.
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ISBN 13 :
Total Pages : 892 pages
Book Rating : 4.:/5 (31 download)
Download or read book Scientific and Technical Aerospace Reports written by and published by . This book was released on 1994 with total page 892 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Jerzy Leszczynski
Publisher : World Scientific
ISBN 13 : 9810243715
Total Pages : 337 pages
Book Rating : 4.8/5 (12 download)
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.
Author : Vincenzo Barone
Publisher : John Wiley & Sons
ISBN 13 : 1118008715
Total Pages : 608 pages
Book Rating : 4.1/5 (18 download)
Download or read book Computational Strategies for Spectroscopy written by Vincenzo Barone and published by John Wiley & Sons. This book was released on 2011-11-01 with total page 608 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational spectroscopy is a rapidly evolving field that is becoming a versatile and widespread tool for the assignment of experimental spectra and their interpretation as related to chemical physical effects. This book is devoted to the most significant methodological contributions in the field, and to the computation of IR, UV-VIS, NMR and EPR spectral parameters with reference to the underlying vibronic and environmental effects. Each section starts with a chapter written by an experimental spectroscopist dealing with present challenges in the different fields; comprehensive coverage of conventional and advanced spectroscopic techniques is provided by means of dedicated chapters written by experts. Computational chemists, analytical chemists and spectroscopists, physicists, materials scientists, and graduate students will benefit from this thorough resource.
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Publisher :
ISBN 13 :
Total Pages : 1256 pages
Book Rating : 4.3/5 (91 download)
Download or read book Nuclear Science Abstracts written by and published by . This book was released on 1973 with total page 1256 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : M. Meyer
Publisher : Springer Science & Business Media
ISBN 13 : 9401135460
Total Pages : 540 pages
Book Rating : 4.4/5 (11 download)
Download or read book Computer Simulation in Materials Science written by M. Meyer and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 540 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume collects the contributions! to the NATO Advanced Study Institute (ASI) held in Aussois (France) by March 25 - April 5, 1991. This NATO ASI was intended to present and illustrate recent advances in computer simulation techniques applied to the study of materials science problems. Introductory lectures have been devoted to classical simulations with special reference to recent technical improvements, in view of their application to complex systems (glasses, molecular systems . . . ). Several other lectures and seminars focused on the methods of elaboration of interatomic potentials and to a critical presentation of quantum simulation techniques. On the other hand, seminars and poster sessions offered the opportunity to discuss the results of a great variety of simulation studies dealing with materials and complex systems. We hope that these proceedings will be of some help for those interested in simulations of material properties. The scientific committee advises have been of crucial importance in determining the conference program. The directors of the ASI express their gratitude to the colleagues who have participated to the committee: Y. Adda, A. Bellemans, G. BIeris, J. Castaing, C. R. A. Catlow, G. Ciccotti, J. Friedel, M. Gillan, J. P. Hansen, M. L. Klein, G. Martin, S. Nose, L. Rull-Fernandez, J. Valleau, J. Villain. The main financial support has been provided by the NATO Scientific Affairs Division and the Commission of European Communities (plan Science).
Author : Clifford Dykstra
Publisher : Elsevier
ISBN 13 : 0080456243
Total Pages : 1336 pages
Book Rating : 4.0/5 (84 download)
Download or read book Theory and Applications of Computational Chemistry written by Clifford Dykstra and published by Elsevier. This book was released on 2011-10-13 with total page 1336 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational chemistry is a means of applying theoretical ideas using computers and a set of techniques for investigating chemical problems within which common questions vary from molecular geometry to the physical properties of substances. Theory and Applications of Computational Chemistry: The First Forty Years is a collection of articles on the emergence of computational chemistry. It shows the enormous breadth of theoretical and computational chemistry today and establishes how theory and computation have become increasingly linked as methodologies and technologies have advanced. Written by the pioneers in the field, the book presents historical perspectives and insights into the subject, and addresses new and current methods, as well as problems and applications in theoretical and computational chemistry. Easy to read and packed with personal insights, technical and classical information, this book provides the perfect introduction for graduate students beginning research in this area. It also provides very readable and useful reviews for theoretical chemists.* Written by well-known leading experts * Combines history, personal accounts, and theory to explain much of the field of theoretical and compuational chemistry* Is the perfect introduction to the field
Author : Vladimir Zelevinsky
Publisher : John Wiley & Sons
ISBN 13 : 352740984X
Total Pages : 582 pages
Book Rating : 4.5/5 (274 download)
Download or read book Quantum Physics written by Vladimir Zelevinsky and published by John Wiley & Sons. This book was released on 2010-12-28 with total page 582 pages. Available in PDF, EPUB and Kindle. Book excerpt: This two-volume set can be naturally divided into two semester courses, and contains a full modern graduate course in quantum physics. The idea is to teach graduate students how to practically use quantum physics and theory, presenting the fundamental knowledge, and gradually moving on to applications, including atomic, nuclear and solid state physics, as well as modern subfields, such as quantum chaos and quantum entanglement. The book starts with basic quantum problems, which do not require full quantum formalism but allow the student to gain the necessary experience and elements of quantum thinking. Only then does the fundamental Schrodinger equation appear. The author has included topics that are not usually covered in standard textbooks and has written the book in such a way that every topic contains varying layers of difficulty, so that the instructor can decide where to stop. Although supplementary sources are not required, "Further reading" is given for each chapter, including references to scientific journals and publications, and a glossary is also provided. Problems and solutions are integrated throughout the text.
Author : George Maroulis
Publisher : American Institute of Physics
ISBN 13 : 9780735406445
Total Pages : 294 pages
Book Rating : 4.4/5 (64 download)
Download or read book Computational Methods in Modern Science and Engineering written by George Maroulis and published by American Institute of Physics. This book was released on 2009-04-03 with total page 294 pages. Available in PDF, EPUB and Kindle. Book excerpt: The aim of ICCMSE 2008 is to bring together computational scientists and engineers from several disciplines in order to share methods, methodologies and ideas. The potential readers are all the scientists with interest in: Computational Mathematics, Theoretical Physics, Computational Physics, Theoretical Chemistry, Computational Chemistry, Mathematical Chemistry, Computational Engineering, Computational Mechanics, Computational Biology and Medicine, Scientific Computation, High Performance Computing, Parallel and Distributed Computing, Visualization, Problem Solving Environments, Software Tools, Advanced Numerical Algorithms, Modelling and Simulation of Complex Systems, Web-based Simulation and Computing, Grid-based Simulation and Computing, Computational Grids, and Computer Science.
Author : Bjoern Baumeier
Publisher : Frontiers Media SA
ISBN 13 : 2832502288
Total Pages : 110 pages
Book Rating : 4.8/5 (325 download)
Download or read book Many-Body Green’s Functions and the Bethe-Salpeter Equation in Chemistry: From Single Molecules to Complex Systems written by Bjoern Baumeier and published by Frontiers Media SA. This book was released on 2022-10-13 with total page 110 pages. Available in PDF, EPUB and Kindle. Book excerpt:
