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Basic Principles and Techniques of Molecular Quantum Mechanics

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Release : 2013-03-08
Genre : Science
Kind : eBook
Book Rating : 608/5 ( reviews)

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Book Synopsis Basic Principles and Techniques of Molecular Quantum Mechanics by : Ralph E. Christoffersen

Download or read book Basic Principles and Techniques of Molecular Quantum Mechanics written by Ralph E. Christoffersen. This book was released on 2013-03-08. Available in PDF, EPUB and Kindle. Book excerpt: New textbooks at all levels of chemistry appear with great regularity. Some fields like basic biochemistry, organic reaction mechanisms, and chemical thermody namics are well represented by many excellent texts, and new or revised editions are published sufficiently often to keep up with progress in research. However, some areas of chemistry, especially many of those taught at the graduate level, suffer from a real lack of up-to-date textbooks. The most serious needs occur in fields that are rapidly changing. Textbooks in these subjects usually have to be written by scientists actually involved in the research which is advancing the field. It is not often easy to persuade such individuals to set time aside to help spread the knowledge they have accumulated. Our goal, in this series, is to pinpoint areas of chemistry where recent progress has outpaced what is covered in any available textbooks, and then seek out and persuade experts in these fields to produce relatively concise but instructive introductions to their fields. These should serve the needs of one semester or one quarter graduate courses in chemistry and biochemistry. In some cases, the availability of texts in active research areas should help stimulate the creation of new courses. New York, New York CHARLES R. CANTOR Preface This book is not a traditional quantum chemistry textbook. Instead, it represents a concept that has evolved from teaching graduate courses in quantum chemistry over a number of years, and encountering students with diverse backgrounds.

Methods of Molecular Quantum Mechanics

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Release : 2009-10-29
Genre : Science
Kind : eBook
Book Rating : 542/5 ( reviews)

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Book Synopsis Methods of Molecular Quantum Mechanics by : Valerio Magnasco

Download or read book Methods of Molecular Quantum Mechanics written by Valerio Magnasco. This book was released on 2009-10-29. Available in PDF, EPUB and Kindle. Book excerpt: Methods of Molecular Quantum Mechanics This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out practical applications in electronic molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations. Major features of the book include: Consistent use of the system of atomic units, essential for simplifying all mathematical formulae Introductory use of density matrix techniques for interpreting properties of many-body systems An introduction to valence bond methods with an explanation of the origin of the chemical bond A unified presentation of basic elements of atomic and molecular interactions The book is intended for advanced undergraduate and first-year graduate students in chemical physics, theoretical and quantum chemistry. In addition, it is relevant to students from physics and from engineering sub-disciplines such as chemical engineering and materials sciences.

Principles of Quantum Mechanics

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Release : 1999-08-26
Genre : Science
Kind : eBook
Book Rating : 247/5 ( reviews)

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Book Synopsis Principles of Quantum Mechanics by : Donald D. Fitts

Download or read book Principles of Quantum Mechanics written by Donald D. Fitts. This book was released on 1999-08-26. 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.

Elementary Methods of Molecular Quantum Mechanics

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Release : 2006-12-20
Genre : Science
Kind : eBook
Book Rating : 80X/5 ( reviews)

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Book Synopsis Elementary Methods of Molecular Quantum Mechanics by : Valerio Magnasco

Download or read book Elementary Methods of Molecular Quantum Mechanics written by Valerio Magnasco. This book was released on 2006-12-20. 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

Molecular Quantum Mechanics

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Release : 2011
Genre : Science
Kind : eBook
Book Rating : 426/5 ( reviews)

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Book Synopsis Molecular Quantum Mechanics by : Peter W. Atkins

Download or read book Molecular Quantum Mechanics written by Peter W. Atkins. This book was released on 2011. 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.

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