Elementary Quantum Chemistry PDF Download
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Author: Frank L. Pilar
Publisher: Courier Corporation
ISBN: 9780486414645
Category : Science
Languages : en
Pages : 646
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Book Description
Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.
Author: Frank L. Pilar
Publisher: Courier Corporation
ISBN: 9780486414645
Category : Science
Languages : en
Pages : 646
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Book Description
Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.
Author: Frank L. Pilar
Publisher: Courier Corporation
ISBN: 0486143872
Category : Science
Languages : en
Pages : 646
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Book Description
As the author notes in the Preface to this valuable text, experimental chemists have moved past studying the average behavior of atoms or molecules "to probe the step-by-step behavior of individual atoms and molecules as they collide, form 'transition states,' and ultimately form products." In such experiments, quantum mechanical computations do two useful tasks: They fill in the observational gaps and help to interpret what has been observed. This introductory course — developed by the former chairman of the chemistry department at the University of New Hampshire — covers, among other topics, the origins of the quantum theory, the Schrödinger wave equation, the quantum mechanics of simple systems, the rigid rotator, the hydrogen atom, electron spin and many-electron systems, the quantum states of atoms, the Hartree-Fock self-consistent field method, the electronic structure of molecules, and semi-empirical molecular orbital methods. One of the great values of the course is its calculations and diagrams, which were created specifically for this text and which students will be able to replicate on their home computers. The text will be most useful for advanced undergraduate or beginning graduate students who have had calculus and at least a year of undergraduate physics. A knowledge of differential equations, linear algebra, and atomic physics is helpful but not essential. Seven appendices give a concise exposition of mathematical and physical material that may not be part of the students' background.
Author: Robert Gilmore
Publisher: JHU Press
ISBN: 9780801880148
Category : Science
Languages : en
Pages : 248
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Book Description
One of the key components of modern physics, quantum mechanics is used in such fields as chemistry, electrical engineering, and computer science. Central to quantum mechanics is Schrödinger's Equation, which explains the behavior of atomic particles and the energy levels of a quantum system. Robert Gilmore's innovative approach to Schrödinger's Equation offers new insight into quantum mechanics at an elementary level. Gilmore presents compact transfer matrix methods for solving quantum problems that can easily be implemented on a personal computer. He shows how to use these methods on a large variety of potentials, both simple and periodic. He shows how to compute bound states, scattering states, and energy bands and describes the relation between bound and scattering states. Chapters on alloys, superlattices, quantum engineering, and solar cells indicate the practical application of the methods discussed. Gilmore's concise and elegant treatment will be of interest to students and professors of introductory and intermediate quantum courses, as well as professionals working in electrical engineering and applied mathematics.
Author: Linus Pauling
Publisher: Courier Corporation
ISBN: 0486134938
Category : Science
Languages : en
Pages : 496
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Book Description
Classic undergraduate text explores wave functions for the hydrogen atom, perturbation theory, the Pauli exclusion principle, and the structure of simple and complex molecules. Numerous tables and figures.
Author: Peter R. Surjan
Publisher: Springer Science & Business Media
ISBN: 3642747558
Category : Science
Languages : en
Pages : 197
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Book Description
The aim of this book is to give a simple, short, and elementary introduction to the second quantized formalism as applied to a many-electron system. It is intended for those, mainly chemists, who are familiar with traditional quantum chemistry but have not yet become acquainted with second quantization. The treatment is, in part, based on a series of seminars held by the author on the subject. It has been realized that many quantum chemists either interested in theory or in applications, being educated as chemi~ts and not as physicists, have never devoted themselves to taking a course on the second quantized approach. Most available textbooks on this topic are not very easy to follow for those who are not trained in theory, or they are not detailed enough to offer a comprehensive treatment. At the same time there are several papers in quantum chemical literature which take advantage of using second quantization, and it would be worthwhile if those papers were accessible for a wider reading public. For this reason, it is intended in this survey to review the basic formalism of second quantization, and to treat some selected chapters of quantum chemistry in this language. Most derivations will be carried out in a detailed manner, so the reader need not accept gaps to understand the result.
Author: R. W Gurney
Publisher: Cambridge University Press
ISBN: 1107586356
Category : Science
Languages : en
Pages : 173
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Book Description
Originally published in 1934, this reference guide provides introductory and principle knowledge of the theory of quantum mechanics.
Author: George C. Schatz
Publisher: Courier Corporation
ISBN: 0486136728
Category : Science
Languages : en
Pages : 384
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Book Description
Advanced graduate-level text looks at symmetry, rotations, and angular momentum addition; occupation number representations; and scattering theory. Uses concepts to develop basic theories of chemical reaction rates. Problems and answers.
Author: Fong Peter
Publisher: World Scientific Publishing Company
ISBN: 9813102004
Category : Science
Languages : en
Pages : 396
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Book Description
Quantum mechanics is a difficult subject for students to learn after years of rigorous training in classical physics. In quantum mechanics they have to abandon what they have laboriously learned and adopt a new system of thinking.In the previous edition of this book, the author reformulated classical mechanics as a classical theory with an undetermined constant. As the constant approaches zero the theory reduces to Newton's exactly, but when set equal to the Planck constant the theory reduces to the Schrödinger representation of quantum mechanics. Thus the new theory, at least in its mathematical form, can be learned without ramifications and complexity. Over the years, the book has shepherded the growth of a generation of physicists.In this expanded edition, a similar trick is applied to introduce matrix mechanics. The matrix formulation presented allows quantum theory to be generalized to new physical systems such as electron spin, which cannot be done by the Schrödinger approach.The result is a textbook which promises to provide a future generation of students a clear, usable and authoritative resource to study the fundamentals of quantum mechanics. Twenty new problems are added to existing chapters.
Author: Bruno Linder
Publisher: World Scientific
ISBN: 9814299669
Category : Science
Languages : en
Pages : 159
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Book Description
This book is designed for a one-semester course, for undergraduates, not necessarily chemistry majors, who need to know something about physical chemistry. The emphasis is not on mathematical rigor, but subtleties and conceptual difficulties are not hidden. It covers the essential topics in physical chemistry, including the state of matter, thermodynamics, chemical kinetics, phase and chemical equilibria, introduction to quantum theory, and molecular spectroscopy. Supplementary materials are available upon request for all instructors who adopt this book as a course text. Please send your request to
[email protected].
Author: John P. Lowe
Publisher: Elsevier
ISBN: 0080515541
Category : Science
Languages : en
Pages : 732
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Book Description
Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom, many-electron atoms, and principles of quantum mechanics. It then provides thorough treatments of variation and perturbation methods, group theory, ab initio theory, Huckel and extended Huckel methods, qualitative MO theory, and MO theory of periodic systems. Chapters are completed with exercises to facilitate self-study. Solutions to selected exercises are included. Assumes little mathematical or physical sophistication Emphasizes understanding of the techniques and results of quantum chemistry Includes improved coverage of time-dependent phenomena, term symbols, and molecular rotation and vibration Provides a new chapter on molecular orbital theory of periodic systems Features new exercise sets with solutions Includes a helpful new appendix that compiles angular momentum rules from operator algebra
