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Ideas of Quantum Chemistry

Ideas of Quantum Chemistry
A Book

by Lucjan Piela

  • Publisher : Elsevier
  • Release : 2013-11-21
  • Pages : 1078
  • ISBN : 0444594574
  • Language : En, Es, Fr & De
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Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of the book (a TREE-form) emphasizes the logical relationships among various topics, facts and methods. It shows the reader which parts of the text are needed for understanding specific aspects of the subject matter. Interspersed throughout the text are short biographies of key scientists and their contributions to the development of the field. Ideas of Quantum Chemistry has both textbook and reference work aspects. Like a textbook, the material is organized into digestible sections with each chapter following the same structure. It answers frequently asked questions and highlights the most important conclusions and the essential mathematical formulae in the text. In its reference aspects, it has a broader range than traditional quantum chemistry books and reviews virtually all of the pertinent literature. It is useful both for beginners as well as specialists in advanced topics of quantum chemistry. An appendix on the Internet supplements this book. Presents the widest range of quantum chemical problems covered in one book Unique structure allows material to be tailored to the specific needs of the reader Informal language facilitates the understanding of difficult topics

Quantum Chemistry

Quantum Chemistry
A Concise Introduction, Second Edition

by Ajit Thakkar

  • Publisher : Morgan & Claypool Publishers
  • Release : 2017-10-03
  • Pages : 135
  • ISBN : 1681746387
  • Language : En, Es, Fr & De
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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.

Quantum Chemistry

Quantum Chemistry
A Book

by Ira N. Levine

  • Publisher : Prentice Hall
  • Release : 2009
  • Pages : 751
  • ISBN : 9780136131069
  • Language : En, Es, Fr & De
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Integrating many new computer-oriented examples and problems throughout, this modern introduction to quantum chemistry covers quantum mechanics, atomic structure, and molecular electronics, and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties. Covers such areas as the Schrödinger Equation, harmonic oscillator, angular momentum, hydrogen atom, theorems of quantum mechanics, electron spin and the Pauli Principle, the Virial Theorem and the Hellmann-Feynman Theorem, and more. Contains solid presentations of the mathematics needed for quantum chemistry, clearly explaining difficult or subtle points in detail. Offers full, step-by-step examinations of derivations that are easy to follow and understand. Offers comprehensive coverage of recent, revolutionary advances in modern quantum-chemistry methods for calculating molecular electronic structure, including the ab initio and semiempirical methods for molecular calculations. Now integrates over 500 problems throughout, with a substantial increase in the amount of computer applications, and fully updated discussions of molecular electronic structure calculations.For professionals in all branches of chemistry.

Modern Quantum Chemistry

Modern Quantum Chemistry
Introduction to Advanced Electronic Structure Theory

by Attila Szabo,Neil S. Ostlund

  • Publisher : Courier Corporation
  • Release : 2012-06-08
  • Pages : 480
  • ISBN : 0486134598
  • Language : En, Es, Fr & De
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This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.

Quantum Chemistry Atoms Molecules

Quantum Chemistry Atoms Molecules
A Book

by Philip S. C. Matthews,Philip S. Matthews,Matthews

  • Publisher : CUP Archive
  • Release : 1986-12-11
  • Pages : 167
  • ISBN : 9780521248549
  • Language : En, Es, Fr & De
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In this book, Dr Matthews emphasises the fundamental ideas of quantum theory as they relate to mainstream areas of chemistry such as bonding and spectroscopy; elementary ideas on the use of symmetry are also included. No prior knowledge of quantum theory is assumed, and considerable help is given to the student in understanding the mathematics that is involved. Much of this mathematics is integrated into the text, but the more intricate portions are to be found in separate boxes; these can be left on a first reading and returned to later. There are also questions and problems at the end of nearly every section, and these are designed to test the student's understanding of the text and to give fresh insights into the work; full answers are provided.

MATHEMATICAL CONCEPTS OF QUANTUM MECHANICS

MATHEMATICAL CONCEPTS OF QUANTUM MECHANICS
A Book

by STEPHEN J. GUSTAFSON

  • Publisher : Unknown Publisher
  • Release : 2020
  • Pages : 329
  • ISBN : 3030595625
  • Language : En, Es, Fr & De
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The book gives a streamlined introduction to quantum mechanics while describing the basic mathematical structures underpinning this discipline. Starting with an overview of key physical experiments illustrating the origin of the physical foundations, the book proceeds with a description of the basic notions of quantum mechanics and their mathematical content. It then makes its way to topics of current interest, specifically those in which mathematics plays an important role. The more advanced topics presented include: many-body systems, modern perturbation theory, path integrals, the theory of resonances, adiabatic theory, geometrical phases, Aharonov-Bohm effect, density functional theory, open systems, the theory of radiation (non-relativistic quantum electrodynamics), and the renormalization group. With different selections of chapters, the book can serve as a text for an introductory, intermediate, or advanced course in quantum mechanics. Some of the sections could be used for introductions to geometrical methods in Quantum Mechanics, to quantum information theory and to quantum electrodynamics and quantum field theory.

Handbook of Computational Quantum Chemistry

Handbook of Computational Quantum Chemistry
A Book

by David B. Cook

  • Publisher : Courier Corporation
  • Release : 2005-08-02
  • Pages : 805
  • ISBN : 0486443078
  • Language : En, Es, Fr & De
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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.

Lectures on Quantum Mechanics

Lectures on Quantum Mechanics
A Book

by Paul A. M. Dirac

  • Publisher : Courier Corporation
  • Release : 2013-05-27
  • Pages : 96
  • ISBN : 0486320286
  • Language : En, Es, Fr & De
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Four concise, brilliant lectures on mathematical methods in quantum mechanics from Nobel Prize–winning quantum pioneer build on idea of visualizing quantum theory through the use of classical mechanics.

Contemporary Quantum Chemistry

Contemporary Quantum Chemistry
An Introduction

by J. Goodisman

  • Publisher : Springer Science & Business Media
  • Release : 2012-12-06
  • Pages : 376
  • ISBN : 1468422685
  • Language : En, Es, Fr & De
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Some knowledge of the principles of quantum mechanics and how they are applied to theoretical chemistry, it is generally agreed, should be part of the education of all chemists. This instruction in quantum chemistry is either added to the more traditional topics of physical chemistry or given separately; at Syracuse University it forms the third semester of the physical chemistry sequence. While a wide variety of textbooks and monographs on the subject of quantum chemistry exists, the author of the present text found that none of them was satisfactory for his purposes, i. e. , none fit his ideas of what subjects should be discussed and in what way. This book is presented with the hope that others with similar experiences will agree with him and endorse his conclusions. The undergraduate student to whom our attentions are directed is a chemistry major, but probably will not go on to graduate school in physical chemistry. He may take several more chemistry courses as an undergraduate and then seek a position in industry, or perhaps he will do graduate work in organic or inorganic chemistry. (Of course, one never stops hoping that, as a result of this first course, he will decide to learn more quantum chem istry.

Quantum Chemistry

Quantum Chemistry
Classic Scientific Papers

by Hinne Hettema

  • Publisher : World Scientific
  • Release : 2000
  • Pages : 520
  • ISBN : 9789812795762
  • Language : En, Es, Fr & De
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Chemical physics is presently a very active field, where theoretical computation and accurate experimentation have led to a host of exciting new results. Among these are the possibility of state-to-state reactive scattering, the insights in non-adiabatic chemistry, and, from the computational perspective, the use of explicitly correlated functions in quantum chemistry. Many of these present-day developments use ideas, derivations and results that were obtained in the very early days of quantum theory, in the 1920s and 1930s. Much of this material is hard to study for readers not familiar with German. This volume presents English translations of some of the most important papers. The choice of material is made with the relevance to present-day researchers in mind. Included are seminal papers by M. Born and J.R. Oppenheimer, J. von Neurmann and E. Wigner, E.A. Hylleraas, F. London, F. Hund, H.A. Kramers, R. de L. Kronig and F. Huckel, among others.

Introduction to Quantum Mechanics with Applications to Chemistry

Introduction to Quantum Mechanics with Applications to Chemistry
A Book

by Linus Pauling,E. Bright Wilson

  • Publisher : Courier Corporation
  • Release : 2012-06-08
  • Pages : 496
  • ISBN : 0486134938
  • Language : En, Es, Fr & De
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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.

Quantum Mechanics (A Ladybird Expert Book)

Quantum Mechanics (A Ladybird Expert Book)
A Book

by Jim Al-Khalili

  • Publisher : Penguin UK
  • Release : 2017-01-26
  • Pages : 56
  • ISBN : 1405929448
  • Language : En, Es, Fr & De
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Part of the new Ladybird Expert series, Quantum Mechanics is a clear, simple and entertaining introduction to the weird, mind-bending world of the very, very small. Written by physicist and broadcaster Professor Jim Al-Khalili, it explores all the key players, breakthroughs, controversies and unanswered questions of the quantum world. You'll discover how the sun shines, why light is both a wave and a particle, the certainty of the Uncertainty Principle, Schrodinger's Cat, Einstein's spooky action, how to build a quantum computer, and why quantum mechanics drives even its experts completely crazy. 'Jim Al-Khalili has done an admirable job of condensing the ideas of quantum physics from Max Planck to the possibilities of quantum computers into brisk, straightforward English' The Times Written by the leading lights and most outstanding communicators in their fields, the Ladybird Expert books provide clear, accessible and authoritative introductions to subjects drawn from science, history and culture. Other books currently available in the Ladybird Expert series include: · Climate Change · Evolution For an adult readership, the Ladybird Expert series is produced in the same iconic small format pioneered by the original Ladybirds. Each beautifully illustrated book features the first new illustrations produced in the original Ladybird style for nearly forty years.

Elements of Quantum Mechanics

Elements of Quantum Mechanics
A Book

by Michael D. Fayer,Professor in the Department of Chemistry Michael D Fayer

  • Publisher : Oxford University Press on Demand
  • Release : 2001
  • Pages : 320
  • ISBN : 9780195141955
  • Language : En, Es, Fr & De
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Elements of Quantum Mechanics provides a solid grounding in the fundamentals of quantum theory and is designed for a first semester graduate or advanced undergraduate course in quantum mechanics for chemistry, chemical engineering, materials science, and physics students. The text includes full development of quantum theory. It begins with the most basic concepts of quantum theory, assuming only that students have some familiarity with such ideas as the uncertainty principle and quantized energy levels. Fayer's accessible approach presents balanced coverage of various quantum theory formalisms, such as the Schr: odinger representation, raising and lowering operator techniques, the matrix representation, and density matrix methods. He includes a more extensive consideration of time dependent problems than is usually found in an introductory graduate course. Throughout the book, sufficient mathematical detail and classical mechanics background are provided to enable students to follow the quantum mechanical developments and analysis of physical phenomena. Fayer provides many examples and problems with fully detailed analytical solutions. Creating a distinctive flavor throughout, Fayer has produced a challenging text with exercises designed to help students become fluent in the concepts and language of modern quantum theory, facilitating their future understanding of more specialized topics. The book concludes with a section containing problems for each chapter that amplify and expand the topics covered in the book. A complete and detailed solution manual is available.

QUANTUM MECHANICS

QUANTUM MECHANICS
A TEXTBOOK FOR UNDERGRADUATE

by MAHESH C. JAIN

  • Publisher : PHI Learning Pvt. Ltd.
  • Release : 2007-08-14
  • Pages : 324
  • ISBN : 8120331982
  • Language : En, Es, Fr & De
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This textbook is written as a basic introduction to Quantum Mechanics for use by the undergraduate students in physics, who are exposed to this subject for the first time. Providing a gentle introduction to the subject, it fills the gap between the available books which provide comprehensive coverage appropriate for postgraduate courses and the ones on Modern Physics which give a rather incomplete treatment of the subject leaving out many conceptual and mathematical details. The author sets out with Planck’s quantum hypothesis and takes the student along through the new concepts and ideas, providing an easy-to-understand description of core quantum concepts and basic mathematical structures. The fundamental principles and the mathe-matical formalism introduced, are amply illustrated through a number of solved examples. Chapter-end exercises and review questions, generally designed as per the examination pattern, serve to reinforce the material learnt. Chapter-end summaries capture the key points discussed in the text. Beside the students of physics, the book can also be used by students of chemistry and first-year students of all branches of engineering for gaining a basic understanding of quantum mechanics, otherwise considered a difficult subject.

Advances in Quantum Chemistry: Lowdin Volume

Advances in Quantum Chemistry: Lowdin Volume
A Book

by Anonim

  • Publisher : Academic Press
  • Release : 2017-02-12
  • Pages : 408
  • ISBN : 0128104007
  • Language : En, Es, Fr & De
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Advances in Quantum Chemistry: Lowdin Volume presents a series of articles exploring aspects of the application of quantum mechanics to atoms, molecules, and solids. Celebrates Per-Olov Lowdin, who would have been 100 in 2016 Contains papers by many who use his ideas in theoretical chemistry and physics today

Quantum Physics for Beginners

Quantum Physics for Beginners
A Book

by Zbigniew Ficek

  • Publisher : CRC Press
  • Release : 2017-03-03
  • Pages : 340
  • ISBN : 1315361272
  • Language : En, Es, Fr & De
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The textbook covers the background theory of various effects discussed from first principles, as clearly as possible, to introduce students to the main ideas of quantum physics and to teach the basic mathematical methods and techniques used in the fields of advanced quantum physics, atomic physics, laser physics, nanotechnology, quantum chemistry, and theoretical mathematics. Many of the predictions of quantum physics appear to be contrary to our intuitive perceptions, and the student will learn how it comes about that microscopic objects (particles) behave in unusual ways that are called quantum effects, what we mean by quantum, and where this idea came from. The textbook is supplemented with Problems and Solutions in Quantum Physics, which contains a wide range of tutorial problems from simple confidence builders to fairly challenging problems that provide adequate understanding of the basic concepts of quantum physics.

The Strange Story of the Quantum

The Strange Story of the Quantum
An Account for the General Reader of the Growth of the Ideas Underlying Our Present Atomic Knowledge

by Banesh Hoffmann

  • Publisher : Courier Corporation
  • Release : 1959
  • Pages : 285
  • ISBN : 0486205185
  • Language : En, Es, Fr & De
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This timeless exploration of the work of the great physicists of the early 20th century employs analogies, examples, and imaginative insights rather than computations to explain the dramatic impact of quantum physics on classical theory. Topics include Pauli's exclusion principle, Schroedinger's wave equation, Heisenberg's uncertainty principle, and many other concepts. 1959 edition.

Fundamentals of Quantum Mechanics

Fundamentals of Quantum Mechanics
For Solid State Electronics and Optics

by C. L. Tang

  • Publisher : Cambridge University Press
  • Release : 2005-06-23
  • Pages : 208
  • ISBN : 9780521829526
  • Language : En, Es, Fr & De
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The basic concepts of quantum mechanics are explained in this book in a concise and easy-to-read manner, leading toward applications in solid-state electronics and optics. Following a logical sequence, the book focuses on key ideas and is conceptually and mathematically self-contained.

An Introductory Path to Quantum Theory

An Introductory Path to Quantum Theory
Using Mathematics to Understand the Ideas of Physics

by Stephen Bruce Sontz

  • Publisher : Springer Nature
  • Release : 2020-03-16
  • Pages : 286
  • ISBN : 3030407675
  • Language : En, Es, Fr & De
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Since the 17th century, physical theories have been expressed in the language of mathematical equations. This introduction to quantum theory uses that language to enable the reader to comprehend the notoriously non-intuitive ideas of quantum physics. The mathematical knowledge needed for using this book comes from standard undergraduate mathematics courses and is described in detail in the section Prerequisites. This text is especially aimed at advanced undergraduate and graduate students of mathematics, computer science, engineering and chemistry among other disciplines, provided they have the math background even though lacking preparation in physics. In fact, no previous formal study of physics is assumed.

Quantum Physics, Mini Black Holes, and the Multiverse

Quantum Physics, Mini Black Holes, and the Multiverse
Debunking Common Misconceptions in Theoretical Physics

by Yasunori Nomura,Bill Poirier,John Terning

  • Publisher : Springer
  • Release : 2018-02-23
  • Pages : 212
  • ISBN : 3319417096
  • Language : En, Es, Fr & De
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"Modern physics is rife with provocative and fascinating ideas, from quantum mechanics to the multiverse. But as interesting as these concepts are, they are also easy to understand. This book, written with deft hands by true experts in the field, helps to illuminate some of the most important and game-changing ideas in physics today." Sean M. Carroll "The Multiversal book series is equally unique, providing book-length extensions of the lectures with enough additional depth for those who truly want to explore these fields, while also providing the kind of clarity that is appropriate for interested lay people to grasp the general principles involved. " Lawrence M. Krauss This book explores, explains and debunks some common misconceptions about quantum physics, particle physics, space-time, and Multiverse cosmology. It seeks to separate science from pseudoscience. The material is presented in layperson-friendly language, followed by additional technical sections which explain basic equations and principles. This feature is very attractive to non-expert readers who nevertheless seek a deeper understanding of the theories, and wish to explore beyond just the basic description. Multiversal JourneysTM is a trademark of Farzad Nekoogar and Multiversal Journeys, a 501 (c) (3) nonprofit organization.