Molecular Quantum Mechanics

Molecular Quantum Mechanics
Author :
Publisher : Oxford University Press
Total Pages : 552
Release :
ISBN-10 : 9780199541423
ISBN-13 : 0199541426
Rating : 4/5 (23 Downloads)

Synopsis Molecular Quantum Mechanics by : Peter W. Atkins

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.

Quantum Mechanics of Molecular Rate Processes

Quantum Mechanics of Molecular Rate Processes
Author :
Publisher : Courier Corporation
Total Pages : 351
Release :
ISBN-10 : 9780486150642
ISBN-13 : 048615064X
Rating : 4/5 (42 Downloads)

Synopsis Quantum Mechanics of Molecular Rate Processes by : Raphael D. Levine

This survey of applications of the theory of collisions and rate processes to molecular problems explores collisions of molecules with internal structure, generalized Ehrenfest theorem, theory of reactive collisions, and role of symmetry. It also reviews partitioning technique, equivalent potentials and quasibound states, theory of direct reactions, more. 1969 edition.

Basic Molecular Quantum Mechanics

Basic Molecular Quantum Mechanics
Author :
Publisher : CRC Press
Total Pages : 464
Release :
ISBN-10 : 9781498734004
ISBN-13 : 1498734006
Rating : 4/5 (04 Downloads)

Synopsis Basic Molecular Quantum Mechanics by : Steven A. Adelman

Quantum mechanics is a general theory of the motions, structures, properties, and behaviors of particles of atomic and subatomic dimensions. While quantum mechanics was created in the first third of the twentieth century by a handful of theoretical physicists working on a limited number of problems, it has further developed and is now applied by a great number of people working on a vast range of problems in wide areas of science and technology. Basic Molecular Quantum Mechanics introduces quantum mechanics by covering the fundamentals of quantum mechanics and some of its most important chemical applications: vibrational and rotational spectroscopy and electronic structure of atoms and molecules. Thoughtfully organized, the author builds up quantum mechanics systematically with each chapter preparing the student for the more advanced chapters and complex applications. Additional features include the following: This book presents rigorous and precise explanations of quantum mechanics and mathematical proofs. It contains qualitative discussions of key concepts with mathematics presented in the appendices. It provides problems and solutions at the end of each chapter to encourage understanding and application. This book is carefully written to emphasize its applications to chemistry and is a valuable resource for advanced undergraduates and beginning graduate students specializing in chemistry, in related fields such as chemical engineering and materials science, and in some areas of biology.

Methods of Molecular Quantum Mechanics

Methods of Molecular Quantum Mechanics
Author :
Publisher : John Wiley & Sons
Total Pages : 299
Release :
ISBN-10 : 9780470684542
ISBN-13 : 0470684542
Rating : 4/5 (42 Downloads)

Synopsis Methods of Molecular Quantum Mechanics by : Valerio Magnasco

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.

Advanced Molecular Quantum Mechanics

Advanced Molecular Quantum Mechanics
Author :
Publisher : Springer Science & Business Media
Total Pages : 251
Release :
ISBN-10 : 9789400956889
ISBN-13 : 9400956886
Rating : 4/5 (89 Downloads)

Synopsis Advanced Molecular Quantum Mechanics by : R. Moss

This book is primarily intended for graduate chemists and chemical physicists. Indeed, it is based on a graduate course that I give in the Chemistry Depart ment of Southampton University. Nowadays undergraduate chemistry courses usually include an introduction to quantum mechanics with particular reference to molecular properties and there are a number of excellent textbooks aimed specifically at undergraduate chemists. In valence theory and molecular spectroscopy physical concepts are often encountered that are normally taken on trust. For example, electron spin and the anomalous magnetic moment of the electron are usually accepted as postulates, although they are well understood by physicists. In addition, the advent of new techniques has led to experimental situations that can only be accounted for adequately by relatively sophisticated physical theory. Relativis tic corrections to molecular orbital energies are needed to explain X-ray photo electron spectra, while the use oflasers can give rise to multiphoton transitions, which are not easy to understand using the classical theory of radiation. Of course, the relevant equations may be extracted from the literature, but, if the underlying physics is not understood, this is a practice that is at best dissatisfy ing and at worst dangerous. One instance where great care must be taken is in the use of spectroscopically determined parameters to test the accuracy of elec tronic wave functions.

Computational Chemistry

Computational Chemistry
Author :
Publisher : Springer Science & Business Media
Total Pages : 474
Release :
ISBN-10 : 9780306483912
ISBN-13 : 0306483912
Rating : 4/5 (12 Downloads)

Synopsis Computational Chemistry by : Errol G. Lewars

Computational chemistry has become extremely important in the last decade, being widely used in academic and industrial research. Yet there have been few books designed to teach the subject to nonspecialists. Computational Chemistry: Introduction to the Theory and Applications of Molecular and Quantum Mechanics is an invaluable tool for teaching and researchers alike. The book provides an overview of the field, explains the basic underlying theory at a meaningful level that is not beyond beginners, and it gives numerous comparisons of different methods with one another and with experiment. The following concepts are illustrated and their possibilities and limitations are given: - potential energy surfaces; - simple and extended Hückel methods; - ab initio, AM1 and related semiempirical methods; - density functional theory (DFT). Topics are placed in a historical context, adding interest to them and removing much of their apparently arbitrary aspect. The large number of references, to all significant topics mentioned, should make this book useful not only to undergraduates but also to graduate students and academic and industrial researchers.

Molecular Quantum Electrodynamics

Molecular Quantum Electrodynamics
Author :
Publisher : Courier Corporation
Total Pages : 338
Release :
ISBN-10 : 9780486135632
ISBN-13 : 0486135632
Rating : 4/5 (32 Downloads)

Synopsis Molecular Quantum Electrodynamics by : D. P. Craig

Self-contained, systematic introduction examines application of quantum electrodynamics to interpretation of optical experiments on atoms and molecules and explains the quantum theory of electromagnetic radiation and its interaction with matter.

Basic Principles and Techniques of Molecular Quantum Mechanics

Basic Principles and Techniques of Molecular Quantum Mechanics
Author :
Publisher : Springer Science & Business Media
Total Pages : 698
Release :
ISBN-10 : 9781468463606
ISBN-13 : 1468463608
Rating : 4/5 (06 Downloads)

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

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.

Quantum Mechanical Foundations of Molecular Spectroscopy

Quantum Mechanical Foundations of Molecular Spectroscopy
Author :
Publisher : John Wiley & Sons
Total Pages : 290
Release :
ISBN-10 : 9783527347926
ISBN-13 : 3527347925
Rating : 4/5 (26 Downloads)

Synopsis Quantum Mechanical Foundations of Molecular Spectroscopy by : Max Diem

A concise textbook bridging quantum theory and spectroscopy! Designed as a practical text, Quantum Mechanical Foundations of Molecular Spectroscopy covers the quantum mechanical fundamentals of molecular spectroscopy from the view of a professional spectroscopist, rather than a theoretician. Written by a noted expert on the topic, the book puts the emphasis on the relationship between spectroscopy and quantum mechanics, and provides the background information and derivations of the subjects needed to understand spectroscopy including: stationary energy states, transitions between these states, selection rules, and symmetry. The phenomenal growth of all forms of spectroscopy over the past eight decades has contributed enormously to our understanding of molecular structure and properties. Today spectroscopy covers a broad field including the modern magnetic resonance techniques, non-linear, laser and fiber-based spectroscopy, surface and surface-enhanced spectroscopy, pico- and femtosecond time resolved spectroscopy, and many more. This up-to-date resource discusses several forms of spectroscopy that are used in many fields of science, such as fluorescence, surface spectroscopies, linear and non-linear Raman spectroscopy and spin spectroscopy. This important text: Contains the physics and mathematics needed to understand spectroscopy Explores spectroscopic methods the are widely used in chemistry, biophysics, biology, and materials science Offers a text written by an experienced lecturer and practitioner of spectroscopic methods Includes detailed explanations and worked examples Written for chemistry, biochemistry, material sciences, and physics students, Quantum Mechanical Foundations of Molecular Spectroscopy provides an accessible text for understanding molecular spectroscopy.

Elementary Methods of Molecular Quantum Mechanics

Elementary Methods of Molecular Quantum Mechanics
Author :
Publisher : Elsevier
Total Pages : 750
Release :
ISBN-10 : 9780080466804
ISBN-13 : 008046680X
Rating : 4/5 (04 Downloads)

Synopsis Elementary Methods of Molecular Quantum Mechanics by : Valerio Magnasco

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