Fundamentals Of Quantum Chemistry PDF Download

Fundamentals of Quantum Chemistry PDF
Author: Michael P. Mueller
Publisher: Springer Science & Business Media
Size: 58.63 MB
Format: PDF
Category : Science
Languages : en
Pages : 265
View: 2616

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As quantum theory enters its second century, it is fitting to examine just how far it has come as a tool for the chemist. Beginning with Max Planck’s agonizing conclusion in 1900 that linked energy emission in discreet bundles to the resultant black-body radiation curve, a body of knowledge has developed with profound consequences in our ability to understand nature. In the early years, quantum theory was the providence of physicists and certain breeds of physical chemists. While physicists honed and refined the theory and studied atoms and their component systems, physical chemists began the foray into the study of larger, molecular systems. Quantum theory predictions of these systems were first verified through experimental spectroscopic studies in the electromagnetic spectrum (microwave, infrared and ultraviolet/visible), and, later, by nuclear magnetic resonance (NMR) spectroscopy. Over two generations these studies were hampered by two major drawbacks: lack of resolution of spectroscopic data, and the complexity of calculations. This powerful theory that promised understanding of the fundamental nature of molecules faced formidable challenges. The following example may put things in perspective for today’s chemistry faculty, college seniors or graduate students: As little as 40 years ago, force field calculations on a molecule as simple as ketene was a four to five year dissertation project.

Fundamentals Of Quantum Chemistry PDF Download

Fundamentals of Quantum Chemistry PDF
Author: J. E. House
Publisher: Academic Press
Size: 72.63 MB
Format: PDF, Docs
Category : Science
Languages : en
Pages : 291
View: 429

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This is a self-contained student-friendly introduction to the key concepts of quantum chemistry. The math is developed as needed and motivated by the concepts themselves. (Midwest).

Fundamentals Of Quantum Mechanics PDF Download

Fundamentals of Quantum Mechanics PDF
Author: J. E. House
Publisher: Academic Press
Size: 76.39 MB
Format: PDF, ePub, Mobi
Category : Science
Languages : en
Pages : 372
View: 4023

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Fundamentals of Quantum Mechanics, Third Edition is a clear and detailed introduction to quantum mechanics and its applications in chemistry and physics. All required math is clearly explained, including intermediate steps in derivations, and concise review of the math is included in the text at appropriate points. Most of the elementary quantum mechanical models—including particles in boxes, rigid rotor, harmonic oscillator, barrier penetration, hydrogen atom—are clearly and completely presented. Applications of these models to selected “real world topics are also included. This new edition includes many new topics such as band theory and heat capacity of solids, spectroscopy of molecules and complexes (including applications to ligand field theory), and small molecules of astrophysical interest. Accessible style and colorful illustrations make the content appropriate for professional researchers and students alike Presents results of quantum mechanical calculations that can be performed with readily available software Provides exceptionally clear discussions of spin-orbit coupling and group theory, and comprehensive coverage of barrier penetration (quantum mechanical tunneling) that touches upon hot topics, such as superconductivity and scanning tunneling microscopy Problems given at the end of each chapter help students to master concepts

Fundamentals Of Quantum Chemistry PDF Download

Fundamentals Of Quantum Chemistry PDF
Author: R Anantharaman
Publisher:
Size: 36.76 MB
Format: PDF
Category :
Languages : en
Pages : 824
View: 3776

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This edition equips the reader with a complete understanding of fundamental topics like the concepts of operators and oscillatory and wave motions, gamma functions and cyclic determinants, whose knowledge is indispensable for studying other advanced treatises on Quantum Chemistry. This book will be of use to students and teachers of Quantum Chemistry.

Fundamentals Of Quantum Mechanics PDF Download

Fundamentals of Quantum Mechanics PDF
Author: J. E. House
Publisher:
Size: 63.42 MB
Format: PDF, Kindle
Category : Science
Languages : en
Pages : 279
View: 4686

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The Fundamentals of Quantum Mechanics provides a clear exposition of the principles of quantum mechanics and its applications for chemistry students. In easy-to-understand terminology, the reader is taken from the early developments in physics that led to quantum mechanics through topics that are essential to understanding modern chemistry and physics. Only a basic knowledge of calculus and introductory chemistry is required. The book is designed for self-study and provides fully developed mathematical details. It stresses the applications of the harmonic oscillator, rigid rotor, barrier penetration, and hydrogen atom models. Topics dealing with chemical bonding, symmetry, and molecular orbitals provide the background necessary for the study of quantum mechanics at a more advanced level.

Quantum Chemistry PDF Download

Quantum Chemistry PDF
Author: Tamás Veszprémi
Publisher: Springer Science & Business Media
Size: 46.78 MB
Format: PDF
Category : Science
Languages : en
Pages : 383
View: 1982

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`Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book the authors have made a remarkable effort to provide a modern account of the field.' From the Foreword by Paul Mezey, University of Saskatchewan. Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II. The applications include: molecular structure; spectroscopy; thermodynamics; chemical reactions; solvent effects; and excited state chemistry. The importance of this field is underscored by the fact that the 1998 Nobel Prize in Chemistry was awarded for the development of Quantum Chemistry.

Fundamentals Of Quantum Mechanics PDF Download

Fundamentals of Quantum Mechanics PDF
Author: C. L. Tang
Publisher: Cambridge University Press
Size: 65.50 MB
Format: PDF, ePub
Category : Technology & Engineering
Languages : en
Pages :
View: 7640

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Quantum mechanics has evolved from a subject of study in pure physics to one with a wide range of applications in many diverse fields. 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. The fundamental principles of quantum mechanics are illustrated by showing their application to systems such as the hydrogen atom, multi-electron ions and atoms, the formation of simple organic molecules and crystalline solids of practical importance. It leads on from these basic concepts to discuss some of the most significant applications in semiconductor electronics and optics. Containing many homework problems, the book is suitable for senior-level undergraduate and graduate-level students in electrical engineering, material sciences, applied physics and chemistry.

Theoretical And Quantum Mechanics PDF Download

Theoretical and Quantum Mechanics PDF
Author: Stefan Ivanov
Publisher: Springer Science & Business Media
Size: 12.16 MB
Format: PDF, ePub, Docs
Category : Science
Languages : en
Pages : 513
View: 4231

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This book has emerged from an undergraduate course as well as a graduate one, which I have taught for a number of years. Recently, many universities have experimented by bringing quantum theory forward in the curriculum and we follow their example. This book is intended to serve as an introduction to theoretical mechanics and quantum mechanics for chemists. I have included those parts of quantum mechanics which are of greatest fundamental interest and utility, and have developed those parts of classical mechanics which relate to and illuminate them. I try to give a comprehensive treatment wherever possible. The book would acquaint chemists with the quantum structure of the basic object of chemistry, the atom. My intention is to bridge the gap between classical physics, general and inorganic chemistry, and quantum mechanics. For these reasons: 1. I present in one course the basics of theoretical mechanics and quantum mechanics, to emphasise the continuity between them; 2. I have chosen the topics of theoretical mechanics based upon two criteria: a) usefulness for chemical problems: two-body problem; rotational motion of a charged particles (free and in an atom); interaction of a magnetic field with a magnetic dipole; details of small oscillations and oscillations of molecules; b) the need for transition from classical to quantum mechanics: basics of Lagrangian mechanics; basics of Hamiltonian mechanics; 3. I give detailed explanation of an application of the quantum method to simple systems: one-dimensional potential, harmonic oscillator, hydrogen atom, and hydrog- like atoms.

Molecular Quantum Mechanics PDF Download

Molecular Quantum Mechanics PDF
Author: Peter W. Atkins
Publisher: Oxford University Press
Size: 55.76 MB
Format: PDF, Kindle
Category : Science
Languages : en
Pages : 537
View: 3197

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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.

Atomic And Quantum Physics PDF Download

Atomic and Quantum Physics PDF
Author: Hermann Haken
Publisher: Springer Science & Business Media
Size: 13.85 MB
Format: PDF, Mobi
Category : Science
Languages : en
Pages : 458
View: 743

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Atomic physics and its underlying quantum theory are the point of departure for many modern areas of physics, astrophysics, chemistry, biology, and even electrical engineering. This textbook provides a careful and eminently readable introduction to the results and methods of empirical atomic physics. The student will acquire the tools of quantum physics and at the same time learn about the interplay between experiment and theory. A chapter on the quantum theory of the chemical bond provides the reader with an introduction to molecular physics. Plenty of problems are given to elucidate the material. The authors also discuss laser physics and nonlinear spectroscopy, incorporating latest experimental results and showing their relevance to basic research. Extra items in the second edition include solutions to the exercises, derivations of the relativistic Klein-Gordon and Dirac equations, a detailed theoretical derivation of the Lamb shift, a discussion of new developments in the spectroscopy of inner shells, and new applications of NMR spectroscopy, for instance tomography.