Search Results for "molecular-quantum-mechanics"

Molecular Quantum Mechanics

Molecular Quantum Mechanics

  • Author: Peter W. Atkins,Ronald S. Friedman
  • Publisher: Oxford University Press
  • ISBN: 0199541426
  • Category: Science
  • Page: 537
  • View: 2657
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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.

Methods of Molecular Quantum Mechanics

Methods of Molecular Quantum Mechanics

An Introduction to Electronic Molecular Structure

  • Author: Valerio Magnasco
  • Publisher: John Wiley & Sons
  • ISBN: 0470684429
  • Category: Science
  • Page: 298
  • View: 3577
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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.

Elementary Molecular Quantum Mechanics

Elementary Molecular Quantum Mechanics

Mathematical Methods and Applications

  • Author: Valerio Magnasco
  • Publisher: Elsevier
  • ISBN: 0444626662
  • Category: Science
  • Page: 1012
  • View: 1476
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The second edition of Elementary 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

Elementary Methods of Molecular Quantum Mechanics

Elementary Methods of Molecular Quantum Mechanics

  • Author: Valerio Magnasco
  • Publisher: Elsevier
  • ISBN: 9780080466804
  • Category: Science
  • Page: 748
  • View: 1877
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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

Advanced Molecular Quantum Mechanics

Advanced Molecular Quantum Mechanics

An Introduction to Relativistic Quantum Mechanics and the Quantum Theory of Radiation

  • Author: R. Moss
  • Publisher: Springer Science & Business Media
  • ISBN: 9400956886
  • Category: Juvenile Nonfiction
  • Page: 300
  • View: 1078
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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.

Molecular Quantum Mechanics

Molecular Quantum Mechanics

  • Author: Peter William Atkins
  • Publisher: N.A
  • ISBN: N.A
  • Category: Quantum chemistry
  • Page: 471
  • View: 9462
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Methods of Molecular Quantum Mechanics

Methods of Molecular Quantum Mechanics

  • Author: R. McWeeny
  • Publisher: N.A
  • ISBN: N.A
  • Category: Science
  • Page: 573
  • View: 6386
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Since this book was first published 20 years ago, there have been remarkable advances in molecular quantum mechanics. The traditional methods expounded in the first edition have been absorbed into thegrowing field of "computational chemistry": but the whole fabric of the subject has also changed under the impact of techniques originating in theoretical physics. Consequently, besides rewriting much of the original text, it has been necessary to add an almost equal amount of completely new material: this covers second quantization and diagrammatic perturbation theory,symmetric and unitary group methods, new forms of valence bond theory, dynamic properties and response, propagator and equation-of-motiontechniques and the theory of intermolecular forces. Problems (withhints on solutions) appear at the end of each chapter and form a valuable supplement to the text. Like the first edition, this is a "teaching book" which follows a deductive step-by-step path from basic principles up to the current frontiers of research. Although aimed primarily at graduate students and their teachers, it should be standard reference for all who come in contact with modern theories of the electronic structure and properties of molecules. The last twenty years have seen remarkable advances in molecular quantum mechanics. The traditional methods expounded in the first successful edition of this book have been implemented on a grand scale. In the Second Edition, Mcweeny has completly revised the text and has added a wealth of new material and example problems.

Basic Principles and Techniques of Molecular Quantum Mechanics

Basic Principles and Techniques of Molecular Quantum Mechanics

  • Author: Ralph E. Christoffersen
  • Publisher: Springer Science & Business Media
  • ISBN: 1468463608
  • Category: Science
  • Page: 686
  • View: 9016
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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.

Solutions Manual for Molecular Quantum Mechanics

Solutions Manual for Molecular Quantum Mechanics

  • Author: Peter William Atkins,R. S. Friedman
  • Publisher: Oxford University Press, USA
  • ISBN: 9780198559689
  • Category: Science
  • Page: 258
  • View: 9076
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This manual contains the authors' detailed solutions to the 353 problems at the ends of the chapters in the third edition of Molecular Quantum Mechanics. Most problem solutions are accompanied by a further related exercise. The manual will be invaluable both to the instructors and lecturers who adopt the parent text and to the students themselves.

Two Applications of Perturbation Theory in Molecular Quantum Mechanics

Two Applications of Perturbation Theory in Molecular Quantum Mechanics

  • Author: Tai Yup Chang
  • Publisher: N.A
  • ISBN: N.A
  • Category: Perturbation
  • Page: 290
  • View: 8663
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Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM/MM Methods

Combining Quantum Mechanics and Molecular Mechanics. Some Recent Progresses in QM/MM Methods

  • Author: N.A
  • Publisher: Academic Press
  • ISBN: 9780123808998
  • Category: Science
  • Page: 432
  • View: 8335
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Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. Publishes articles, invited reviews and proceedings of major international conferences and workshops Written by leading international researchers in quantum and theoretical chemistry Highlights important interdisciplinary developments

Molecular Quantum Mechanics

Molecular Quantum Mechanics

  • Author: Nicholas Charles Handy,CLARY,Schaefer,COLWELL
  • Publisher: Routledge
  • ISBN: 9780415342643
  • Category: Science
  • Page: 312
  • View: 8766
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Molecular Quantum Electrodynamics

Molecular Quantum Electrodynamics

  • Author: D. P. Craig,T. Thirunamachandran
  • Publisher: Courier Corporation
  • ISBN: 0486135632
  • Category: Science
  • Page: 336
  • View: 7701
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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.

Multidimensional quantum mechanics with trajectories

Multidimensional quantum mechanics with trajectories

  • Author: Collaborative Computational Project on Molecular Quantum Dynamics
  • Publisher: N.A
  • ISBN: N.A
  • Category: Science
  • Page: 181
  • View: 8191
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Quantenmechanik in der Chemie

Quantenmechanik in der Chemie

  • Author: M.W. Hanna
  • Publisher: Springer-Verlag
  • ISBN: 3642723160
  • Category: Science
  • Page: 304
  • View: 1486
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