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Handbook Of Relativistic Quantum Chemistry
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Book Synopsis Handbook of Computational Quantum Chemistry by : David B. Cook
Download or read book Handbook of Computational Quantum Chemistry written by David B. Cook and published by Courier Corporation. This book was released on 2005-08-02 with total page 852 pages. Available in PDF, EPUB and Kindle. Book excerpt: This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.
Book Synopsis Handbook of Relativistic Quantum Chemistry by : Wenjian Liu
Download or read book Handbook of Relativistic Quantum Chemistry written by Wenjian Liu and published by Springer. This book was released on 2016-06-15 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook covers new methodological developments and applications of relativistic quantum chemistry. It also pays attention to the foundation of relativistic quantum mechanics and addresses a number of fundamental issues that have not been covered by any book. For instance, what is the appropriate relativistic many-electron Hamiltonian? How to do relativistic explicit/local correlation? How to formulate relativistic properties? How to combine double-group and time-reversal symmetries? How to do QED calculations for molecules? Just to name a few. This book aims to establish the big picture of relativistic molecular quantum mechanics, ranging from pedagogic introduction for uninitiated readers, advanced methodologies and efficient algorithms for experts, to possible future perspectives, such that the reader knows when/how to apply/develop the methodologies. This self-contained two-volume book can be regarded as a supplement to the three-volume "Handbook of Computational Chemistry", which contains no relativity at all. It is to be composed of 6 sections with different chapters (will be further expanded), each of which is to be written by the most active experts, who will be invited upon approval of this proposal.
Book Synopsis Mathematics for Quantum Chemistry by : Jay Martin Anderson
Download or read book Mathematics for Quantum Chemistry written by Jay Martin Anderson and published by Courier Corporation. This book was released on 2012-12-13 with total page 177 pages. Available in PDF, EPUB and Kindle. Book excerpt: Introduction to problems of molecular structure and motion covers calculus of orthogonal functions, algebra of vector spaces, and Lagrangian and Hamiltonian formulation of classical mechanics. Answers to problems. 1966 edition.
Book Synopsis Molecular Quantum Mechanics by : Peter W. Atkins
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.
Book Synopsis Handbook of Computational Chemistry by : Jerzy Leszczynski
Download or read book Handbook of Computational Chemistry written by Jerzy Leszczynski and published by Springer Science & Business Media. This book was released on 2012-01-14 with total page 1451 pages. Available in PDF, EPUB and Kindle. Book excerpt: This handbook is a guide to current methods of computational chemistry, explaining their limitations and advantages and providing examples of their applications. The first part outlines methods, the balance of volumes present numerous important applications.
Book Synopsis Relativistic Quantum Chemistry by : Markus Reiher
Download or read book Relativistic Quantum Chemistry written by Markus Reiher and published by John Wiley & Sons. This book was released on 2009-02-17 with total page 780 pages. Available in PDF, EPUB and Kindle. Book excerpt: "Written by two researchers in the field, this book is a reference to explain the principles and fundamentals in a self-contained, complete and consistent way. Much attention is paid to the didactical value, with the chapters interconnected and based on each other. From beginning to end, the authors deduce all the concepts and rules, such that readers are able to understand the fundamentals and principles behind the theory. Essential reading for theoretical chemists and physicists." --Book Jacket.
Book Synopsis Principles of Quantum Mechanics by : R. Shankar
Download or read book Principles of Quantum Mechanics written by R. Shankar and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 676 pages. Available in PDF, EPUB and Kindle. Book excerpt: R. Shankar has introduced major additions and updated key presentations in this second edition of Principles of Quantum Mechanics. New features of this innovative text include an entirely rewritten mathematical introduction, a discussion of Time-reversal invariance, and extensive coverage of a variety of path integrals and their applications. Additional highlights include: - Clear, accessible treatment of underlying mathematics - A review of Newtonian, Lagrangian, and Hamiltonian mechanics - Student understanding of quantum theory is enhanced by separate treatment of mathematical theorems and physical postulates - Unsurpassed coverage of path integrals and their relevance in contemporary physics The requisite text for advanced undergraduate- and graduate-level students, Principles of Quantum Mechanics, Second Edition is fully referenced and is supported by many exercises and solutions. The book’s self-contained chapters also make it suitable for independent study as well as for courses in applied disciplines.
Book Synopsis Essentials of Computational Chemistry by : Christopher J. Cramer
Download or read book Essentials of Computational Chemistry written by Christopher J. Cramer and published by John Wiley & Sons. This book was released on 2013-04-29 with total page 624 pages. Available in PDF, EPUB and Kindle. Book excerpt: Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.
Book Synopsis Quantum Chemistry by : Donald A Mcquarrie
Download or read book Quantum Chemistry written by Donald A Mcquarrie and published by . This book was released on 2007-01-01 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Book Synopsis The Physics of Quantum Mechanics by : James Binney
Download or read book The Physics of Quantum Mechanics written by James Binney and published by Oxford University Press, USA. This book was released on 2013-12 with total page 408 pages. Available in PDF, EPUB and Kindle. Book excerpt: This title gives students a good understanding of how quantum mechanics describes the material world. The text stresses the continuity between the quantum world and the classical world, which is merely an approximation to the quantum world.
Book Synopsis Introduction to Quantum Mechanics by : David J. Griffiths
Download or read book Introduction to Quantum Mechanics written by David J. Griffiths and published by Cambridge University Press. This book was released on 2019-11-20 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: Changes and additions to the new edition of this classic textbook include a new chapter on symmetries, new problems and examples, improved explanations, more numerical problems to be worked on a computer, new applications to solid state physics, and consolidated treatment of time-dependent potentials.
Book Synopsis Introduction to Relativistic Quantum Chemistry by : Kenneth G. Dyall
Download or read book Introduction to Relativistic Quantum Chemistry written by Kenneth G. Dyall and published by Oxford University Press. This book was released on 2007-04-19 with total page 544 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation of approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity.
Download or read book Beyond Measure written by J. E. Baggott and published by . This book was released on 2004 with total page 400 pages. Available in PDF, EPUB and Kindle. Book excerpt: Presents the problems of quantum theory from the perspective of mathematical formalism. -- Back cover.
Book Synopsis Handbook of Nuclear Chemistry by : Attila Vértes
Download or read book Handbook of Nuclear Chemistry written by Attila Vértes and published by Springer Science & Business Media. This book was released on 2010-12-10 with total page 3762 pages. Available in PDF, EPUB and Kindle. Book excerpt: This revised and extended 6 volume handbook set is the most comprehensive and voluminous reference work of its kind in the field of nuclear chemistry. The Handbook set covers all of the chemical aspects of nuclear science starting from the physical basics and including such diverse areas as the chemistry of transactinides and exotic atoms as well as radioactive waste management and radiopharmaceutical chemistry relevant to nuclear medicine. The nuclear methods of the investigation of chemical structure also receive ample space and attention. The international team of authors consists of scores of world-renowned experts - nuclear chemists, radiopharmaceutical chemists and physicists - from Europe, USA, and Asia. The Handbook set is an invaluable reference for nuclear scientists, biologists, chemists, physicists, physicians practicing nuclear medicine, graduate students and teachers - virtually all who are involved in the chemical and radiopharmaceutical aspects of nuclear science. The Handbook set also provides further reading via the rich selection of references.
Download or read book Quantum Chemistry written by Ajit Thakkar and published by Morgan & Claypool Publishers. This book was released on 2017-10-03 with total page 134 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry. It is both a text for second or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely user spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference. The keystone is laid in the first two chapters which deal with molecular symmetry and the postulates of quantum mechanics, respectively. Symmetry is woven through the narrative of the next three chapters dealing with simple models of translational, rotational, and vibrational motion that underlie molecular spectroscopy and statistical thermodynamics. The next two chapters deal with the electronic structure of the hydrogen atom and hydrogen molecule ion, respectively. Having been armed with a basic knowledge of these prototypical systems, the reader is ready to learn, in the next chapter, the fundamental ideas used to deal with the complexities of many-electron atoms and molecules. These somewhat abstract ideas are illustrated with the venerable Huckel model of planar hydrocarbons in the penultimate chapter. The book concludes with an explanation of the bare minimum of technical choices that must be made to do meaningful electronic structure computations using quantum chemistry software packages.
Book Synopsis Quantum Mechanics, Second edition by : Paul C.W. Davies
Download or read book Quantum Mechanics, Second edition written by Paul C.W. Davies and published by CRC Press. This book was released on 1994-06-30 with total page 196 pages. Available in PDF, EPUB and Kindle. Book excerpt: Quantum mechanics is the key to modern physics and chemistry, yet it is notoriously difficult to understand. This book is designed to overcome that obstacle. Clear and concise, it provides an easily readable introduction intended for science undergraduates with no previous knowledge of quantum theory, leading them through to the advanced topics usually encountered at the final year level. Although the subject matter is standard, novel techniques have been employed that considerably simplify the technical presentation. The authors use their extensive experience of teaching and popularizing science to explain the many difficult, abstract points of the subject in easily comprehensible language. Helpful examples and thorough sets of exercises are also given to enable students to master the subject.
Book Synopsis Advanced Quantum Mechanics by : Franz Schwabl
Download or read book Advanced Quantum Mechanics written by Franz Schwabl and published by Springer Science & Business Media. This book was released on 2013-03-14 with total page 412 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book covers advanced topics in quantum mechanics, including nonrelativistic multi-particle systems, relativistic wave equations, and relativistic fields. Numerous examples for application help readers gain a thorough understanding of the subject. The presentation of relativistic wave equations and their symmetries, and the fundamentals of quantum field theory lay the foundations for advanced studies in solid-state physics, nuclear, and elementary particle physics. The authors earlier book, Quantum Mechanics, was praised for its unsurpassed clarity.
