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Author : Tai Yup Chang
Publisher :
ISBN 13 :
Total Pages : 318 pages
Book Rating : 4.:/5 (89 download)
Download or read book Two Applications of Perturbation Theory in Molecular Quantum Mechanics written by Tai Yup Chang and published by . This book was released on 1967 with total page 318 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Valerio Magnasco
Publisher : Elsevier
ISBN 13 : 0444626662
Total Pages : 953 pages
Book Rating : 4.4/5 (446 download)
Download or read book Elementary Molecular Quantum Mechanics written by Valerio Magnasco and published by Elsevier. This book was released on 2013-08-07 with total page 953 pages. Available in PDF, EPUB and Kindle. Book excerpt: The second edition of Elementary Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics. This readable book teaches in detail the mathematical methods needed to do working applications in molecular quantum mechanics, as a preliminary step before using commercial programmes doing quantum chemistry calculations.This book aims to bridge the gap between the classic Coulson's Valence, where application of wave mechanical principles to valence theory is presented in a fully non-mathematical way, and McWeeny's Methods of Molecular Quantum Mechanics, where recent advances in the application of quantum mechanical methods to molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points are given as problems at the end of each chapter, with a hint for their solution. Solutions are then worked out in detail in the last section of each Chapter. - Uses clear and simplified examples to demonstrate the methods of molecular quantum mechanics - Simplifies all mathematical formulae for the reader - Provides educational training in basic methodology
Author : Stefan Teufel
Publisher : Springer Science & Business Media
ISBN 13 : 9783540407232
Total Pages : 248 pages
Book Rating : 4.4/5 (72 download)
Download or read book Adiabatic Perturbation Theory in Quantum Dynamics written by Stefan Teufel and published by Springer Science & Business Media. This book was released on 2003 with total page 248 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Valerio Magnasco
Publisher : Elsevier
ISBN 13 : 008046680X
Total Pages : 750 pages
Book Rating : 4.0/5 (84 download)
Download or read book Elementary Methods of Molecular Quantum Mechanics written by Valerio Magnasco and published by Elsevier. This book was released on 2006-12-20 with total page 750 pages. Available in PDF, EPUB and Kindle. Book excerpt: Elementary Methods of Molecular Quantum Mechanics shows the methods of molecular quantum mechanics for graduate University students of Chemistry and Physics. This readable book teaches in detail the mathematical methods needed to do working applications in molecular quantum mechanics, as a preliminary step before using commercial programmes doing quantum chemistry calculations.This book aims to bridge the gap between the classic Coulson's Valence, where application of wave mechanical principles to valence theory is presented in a fully non-mathematical way, and McWeeny's Methods of Molecular Quantum Mechanics, where recent advances in the application of quantum mechanical methods to molecular problems are presented at a research level in a full mathematical way. Many examples and mathematical points are given as problems at the end of each chapter, with a hint for their solution. Solutions are then worked out in detail in the last section of each Chapter.* Uses clear and simplified examples to demonstrate the methods of molecular quantum mechanics * Simplifies all mathematical formulae for the reader* Provides educational training in basic methodology
Author : Melvin W. Hanna
Publisher : Addison Wesley Longman
ISBN 13 :
Total Pages : 292 pages
Book Rating : 4.3/5 (91 download)
Download or read book Quantum Mechanics in Chemistry written by Melvin W. Hanna and published by Addison Wesley Longman. This book was released on 1969 with total page 292 pages. Available in PDF, EPUB and Kindle. Book excerpt: Includes bibliographical references.
Author : Francisco M. Fernandez
Publisher : CRC Press
ISBN 13 : 1420039644
Total Pages : 289 pages
Book Rating : 4.4/5 (2 download)
Download or read book Introduction to Perturbation Theory in Quantum Mechanics written by Francisco M. Fernandez and published by CRC Press. This book was released on 2000-09-19 with total page 289 pages. Available in PDF, EPUB and Kindle. Book excerpt: Perturbation theory is a powerful tool for solving a wide variety of problems in applied mathematics, a tool particularly useful in quantum mechanics and chemistry. Although most books on these subjects include a section offering an overview of perturbation theory, few, if any, take a practical approach that addresses its actual implementation
Author : Ajoy Ghatak
Publisher : Springer Science & Business Media
ISBN 13 : 1402021305
Total Pages : 906 pages
Book Rating : 4.4/5 (2 download)
Download or read book Quantum Mechanics: Theory and Applications written by Ajoy Ghatak and published by Springer Science & Business Media. This book was released on 2004-02-29 with total page 906 pages. Available in PDF, EPUB and Kindle. Book excerpt: An understanding of quantum mechanics is vital to all students of physics, chemistry and electrical engineering, but requires a lot of mathematical concepts, the details of which are given with great clarity in this book. Various concepts have been derived from first principles, so it can also be used for self-study. The chapters on the JWKB approximation, time-independent perturbation theory and effects of magnetic field stand out for their clarity and easy-to-understand mathematics. Two complete chapters on the linear harmonic oscillator provide a very detailed discussion of one of the most fundamental problems in quantum mechanics. Operator algebra is used to show the ease with which one can calculate the harmonic oscillator wave functions and study the evolution of the coherent state. Similarly, three chapters on angular momentum give a detailed account of this important problem. Perhaps the most attractive feature of the book is the excellent balance between theory and applications and the large number of applications in such diverse areas as astrophysics, nuclear physics, atomic and molecular spectroscopy, solid-state physics, and quantum well structures.
Author : P.J. Grout
Publisher : Springer Science & Business Media
ISBN 13 : 1402087071
Total Pages : 586 pages
Book Rating : 4.4/5 (2 download)
Download or read book Frontiers in Quantum Systems in Chemistry and Physics written by P.J. Grout and published by Springer Science & Business Media. This book was released on 2008-09-12 with total page 586 pages. Available in PDF, EPUB and Kindle. Book excerpt: In this volume we have collected some of the contributions made to the Twelfth European Workshop on Quantum Systems in Chemistry and Physics (QSCP-XII) in 2007. The workshop was held at Royal Holloway College, the most westerly campusof the University of London,and situated just a stone’s throw from Windsor Great Park. The workshop, which ran from 30 August to 5 September, continued the series that was established by Roy McWeeny in April 1996 with a meeting held at San Miniato, near Pisa. The purpose of the QSCP workshops is to bring together, in an informal atmosphere and with the aim of fostering collaboration, those chemists and physicists who share a common ?eld of interest in the theory of the quantum many-body problem. Quantum mechanics provides a theoretical foundation for our understandingof the structure,propertiesanddynamicsof atoms, moleculesandthe solid state, in terms of their component particles: electrons and nuclei. The study of ‘Quantum Systems in Chemistry and Physics’ therefore underpins many of the emerging?elds in twenty-?rstcenturyscience andtechnology:nanostructure,smart materials, drug design – to name but a few. Members of the workshop were keen to discuss their research and engage in collaboration centred upon the development of fundamental and innovative theory which would lead to the exploration of new concepts. The proceedings of all of the workshops, which have been held annually since 1996, have been published both to disseminate the latest developments within the wider community and to stimulate further collaboration.
Author : Stephen Wilson
Publisher : Springer Science & Business Media
ISBN 13 : 1461574196
Total Pages : 554 pages
Book Rating : 4.4/5 (615 download)
Download or read book Methods in Computational Molecular Physics written by Stephen Wilson and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 554 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume records the lectures given at a NATO Advanced Study Institute on Methods in Computational Molecular Physics held in Bad Windsheim, Germany, from 22nd July until 2nd. August, 1991. This NATO Advanced Study Institute sought to bridge the quite considerable gap which exist between the presentation of molecular electronic structure theory found in contemporary monographs such as, for example, McWeeny's Methods 0/ Molecular Quantum Mechanics (Academic Press, London, 1989) or Wilson's Electron correlation in moleeules (Clarendon Press, Oxford, 1984) and the realization of the sophisticated computational algorithms required for their practical application. It sought to underline the relation between the electronic structure problem and the study of nuc1ear motion. Software for performing molecular electronic structure calculations is now being applied in an increasingly wide range of fields in both the academic and the commercial sectors. Numerous applications are reported in areas as diverse as catalysis and interstellar chernistry, drug design and environmental studies, molecular biology and solid state physics. The range of applications continues to increase as scientists recognize the importance of molecular structure studies to their research activities. Recent years have seen a growing dependence of these applications on program packages, which are often not in the public domain and which may have a somewhat lirnited range of applicability dicta ted by the particular interests and prejudices of the program author.
Author : Magdalena M. Dudas
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (114 download)
Download or read book Application of Quantum Mechanical Perturbation Theory to Molecular Vibrational-rotational Analysis written by Magdalena M. Dudas and published by . This book was released on 1991 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Alexander V. Glushkov
Publisher : Springer Nature
ISBN 13 : 3030683141
Total Pages : 358 pages
Book Rating : 4.0/5 (36 download)
Download or read book Advances in Methods and Applications of Quantum Systems in Chemistry, Physics, and Biology written by Alexander V. Glushkov and published by Springer Nature. This book was released on 2021-06-29 with total page 358 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book reviews the most significant advances in concepts, methods, and applications of quantum systems in a broad variety of problems in modern chemistry, physics, and biology. In particular, it discusses atomic, molecular, and solid structure, dynamics and spectroscopy, relativistic and correlation effects in quantum chemistry, topics of computational chemistry, physics and biology, as well as applications of theoretical chemistry and physics in advanced molecular and nano-materials and biochemical systems. The book contains peer-reviewed contributions written by leading experts in the fields and based on the presentations given at the Twenty-Fourth International Workshop on Quantum Systems in Chemistry, Physics, and Biology held in Odessa, Ukraine, in August 2019. This book is aimed at advanced graduate students, academics, and researchers, both in university and corporation laboratories, interested in state-of-the-art and novel trends in quantum chemistry, physics, biology, and their applications.
Author : Peter W. Atkins
Publisher : Oxford University Press
ISBN 13 : 0199541426
Total Pages : 552 pages
Book Rating : 4.1/5 (995 download)
Download or read book Molecular Quantum Mechanics written by Peter W. Atkins and published by Oxford University Press. This book was released on 2011 with total page 552 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text unravels those fundamental physical principles which explain how all matter behaves. It takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules.
Author : Robert A. Meyers
Publisher : Springer Science & Business Media
ISBN 13 : 1461418054
Total Pages : 1885 pages
Book Rating : 4.4/5 (614 download)
Download or read book Mathematics of Complexity and Dynamical Systems written by Robert A. Meyers and published by Springer Science & Business Media. This book was released on 2011-10-05 with total page 1885 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mathematics of Complexity and Dynamical Systems is an authoritative reference to the basic tools and concepts of complexity, systems theory, and dynamical systems from the perspective of pure and applied mathematics. Complex systems are systems that comprise many interacting parts with the ability to generate a new quality of collective behavior through self-organization, e.g. the spontaneous formation of temporal, spatial or functional structures. These systems are often characterized by extreme sensitivity to initial conditions as well as emergent behavior that are not readily predictable or even completely deterministic. The more than 100 entries in this wide-ranging, single source work provide a comprehensive explication of the theory and applications of mathematical complexity, covering ergodic theory, fractals and multifractals, dynamical systems, perturbation theory, solitons, systems and control theory, and related topics. Mathematics of Complexity and Dynamical Systems is an essential reference for all those interested in mathematical complexity, from undergraduate and graduate students up through professional researchers.
Author : Stephen Wilson
Publisher : Springer Science & Business Media
ISBN 13 : 9048133734
Total Pages : 235 pages
Book Rating : 4.0/5 (481 download)
Download or read book Brillouin-Wigner Methods for Many-Body Systems written by Stephen Wilson and published by Springer Science & Business Media. This book was released on 2009-12-01 with total page 235 pages. Available in PDF, EPUB and Kindle. Book excerpt: Brillouin-Wigner Methods for Many-Body Systems gives an introduction to many-body methods in electronic structure theory for the graduate student and post-doctoral researcher. It provides researchers in many-body physics and theoretical chemistry with an account of Brillouin-Wigner methodology as it has been developed in recent years to handle the multireference correlation problem. Moreover, the frontiers of this research field are defined. This volume is of interest to atomic and molecular physicists, physical chemists and chemical physicists, quantum chemists and condensed matter theorists, computational chemists and applied mathematicians.
Author : Donald D. Fitts
Publisher : Cambridge University Press
ISBN 13 : 0521651247
Total Pages : 366 pages
Book Rating : 4.5/5 (216 download)
Download or read book Principles of Quantum Mechanics written by Donald D. Fitts and published by Cambridge University Press. This book was released on 1999-08-26 with total page 366 pages. Available in PDF, EPUB and Kindle. Book excerpt: This text presents a rigorous mathematical account of the principles of quantum mechanics, in particular as applied to chemistry and chemical physics. Applications are used as illustrations of the basic theory. The first two chapters serve as an introduction to quantum theory, although it is assumed that the reader has been exposed to elementary quantum mechanics as part of an undergraduate physical chemistry or atomic physics course. Following a discussion of wave motion leading to Schrödinger's wave mechanics, the postulates of quantum mechanics are presented along with essential mathematical concepts and techniques. The postulates are rigorously applied to the harmonic oscillator, angular momentum, the hydrogen atom, the variation method, perturbation theory, and nuclear motion. Modern theoretical concepts such as hermitian operators, Hilbert space, Dirac notation, and ladder operators are introduced and used throughout. This text is appropriate for beginning graduate students in chemistry, chemical physics, molecular physics and materials science.
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.
Author : University of Wisconsin Theoretical Chemistry Intitute
Publisher :
ISBN 13 :
Total Pages : 428 pages
Book Rating : 4.:/5 (422 download)
Download or read book Perturbation Theory and Its Applications in Quantum Mechanics written by University of Wisconsin Theoretical Chemistry Intitute and published by . This book was released on 1966 with total page 428 pages. Available in PDF, EPUB and Kindle. Book excerpt:
