Elementary Molecular Quantum Mechanics Book

Elementary Molecular Quantum Mechanics


  • Author : Valerio Magnasco
  • Publisher : Elsevier Science
  • Release Date : 2013
  • Genre: Mathematics
  • Pages : 932
  • ISBN 10 : 0444626476

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Elementary Molecular Quantum Mechanics Excerpt :

Revison of: Elementary methods of molecular quantum mechanics.

Elementary Molecular Quantum Mechanics Book

Elementary Molecular Quantum Mechanics


  • Author : Valerio Magnasco
  • Publisher : Elsevier
  • Release Date : 2013-08-07
  • Genre: Science
  • Pages : 1012
  • ISBN 10 : 9780444626660

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Elementary Molecular Quantum Mechanics Excerpt :

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 Book
Score: 4
From 2 Ratings

Elementary Methods of Molecular Quantum Mechanics


  • Author : Valerio Magnasco
  • Publisher : Elsevier
  • Release Date : 2006-12-20
  • Genre: Science
  • Pages : 748
  • ISBN 10 : 008046680X

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Elementary Methods of Molecular Quantum Mechanics 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

Methods of Molecular Quantum Mechanics Book

Methods of Molecular Quantum Mechanics


  • Author : Valerio Magnasco
  • Publisher : John Wiley & Sons
  • Release Date : 2009-12-21
  • Genre: Science
  • Pages : 299
  • ISBN 10 : 9780470684429

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Methods of Molecular Quantum Mechanics Excerpt :

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 Methods of Molecular Quantum Mechanics Book

Elementary Methods of Molecular Quantum Mechanics


  • Author : Valerio Magnasco
  • Publisher : Elsevier Science Limited
  • Release Date : 2007
  • Genre: Science
  • Pages : 729
  • ISBN 10 : 0444527788

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Elementary Methods of Molecular Quantum Mechanics 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

Elementary Quantum Chemistry Book
Score: 5
From 1 Ratings

Elementary Quantum Chemistry


  • Author : Frank L. Pilar
  • Publisher : Courier Corporation
  • Release Date : 2001-01-01
  • Genre: Science
  • Pages : 646
  • ISBN 10 : 0486414647

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Elementary Quantum Chemistry Excerpt :

Useful introductory course and reference covers origins of quantum theory, Schrödinger wave equation, quantum mechanics of simple systems, electron spin, quantum states of atoms, Hartree-Fock self-consistent field method, more. 1990 edition.

Ideas of Quantum Chemistry Book

Ideas of Quantum Chemistry


  • Author : Lucjan Piela
  • Publisher : Elsevier
  • Release Date : 2006-11-28
  • Genre: Science
  • Pages : 1120
  • ISBN 10 : 0080466761

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Ideas of Quantum Chemistry Excerpt :

Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. The structure of the book (a TREE-form) emphasizes the logical relationships between 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 digestable 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. The book is supplemented by an appendix on the Internet. * 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

Molecular Quantum Dynamics Book

Molecular Quantum Dynamics


  • Author : Fabien Gatti
  • Publisher : Springer Science & Business Media
  • Release Date : 2014-04-09
  • Genre: Science
  • Pages : 273
  • ISBN 10 : 9783642452901

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Molecular Quantum Dynamics Excerpt :

This book focuses on current applications of molecular quantum dynamics. Examples from all main subjects in the field, presented by the internationally renowned experts, illustrate the importance of the domain. Recent success in helping to understand experimental observations in fields like heterogeneous catalysis, photochemistry, reactive scattering, optical spectroscopy, or femto- and attosecond chemistry and spectroscopy underline that nuclear quantum mechanical effects affect many areas of chemical and physical research. In contrast to standard quantum chemistry calculations, where the nuclei are treated classically, molecular quantum dynamics can cover quantum mechanical effects in their motion. Many examples, ranging from fundamental to applied problems, are known today that are impacted by nuclear quantum mechanical effects, including phenomena like tunneling, zero point energy effects, or non-adiabatic transitions. Being important to correctly understand many observations in chemical, organic and biological systems, or for the understanding of molecular spectroscopy, the range of applications covered in this book comprises broad areas of science: from astrophysics and the physics and chemistry of the atmosphere, over elementary processes in chemistry, to biological processes (such as the first steps of photosynthesis or vision). Nevertheless, many researchers refrain from entering this domain. The book "Molecular Quantum Dynamics" offers them an accessible introduction. Although the calculation of large systems still presents a challenge - despite the considerable power of modern computers - new strategies have been developed to extend the studies to systems of increasing size. Such strategies are presented after a brief overview of the historical background. Strong emphasis is put on an educational presentation of the fundamental concepts, so that the reader can inform himself about the most important concepts, like eigenstates, wave packets, quantum mechan

Molecular Physics and Elements of Quantum Chemistry Book

Molecular Physics and Elements of Quantum Chemistry


  • Author : Hermann Haken
  • Publisher : Springer Science & Business Media
  • Release Date : 2013-03-09
  • Genre: Science
  • Pages : 407
  • ISBN 10 : 9783662030752

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Molecular Physics and Elements of Quantum Chemistry Excerpt :

This textbook introduces the molecular and quantum chemistry needed to understand the physical properties of molecules and their chemical bonds. It follows the authors' earlier textbook "The Physics of Atoms and Quanta" and presents both experimental and theoretical fundamentals for students in physics and physical and theoretical chemistry. The new edition treats new developments in areas such as high-resolution two-photon spectroscopy, ultrashort pulse spectroscopy, photoelectron spectroscopy, optical investigation of single molecules in condensed phase, electroluminescence, and light-emitting diodes.

Quantum Mechanics For Organic Chemists Book

Quantum Mechanics For Organic Chemists


  • Author : Howard Zimmerman
  • Publisher : Elsevier
  • Release Date : 2012-12-02
  • Genre: Science
  • Pages : 226
  • ISBN 10 : 9780323159746

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Quantum Mechanics For Organic Chemists Excerpt :

Quantum Mechanics for Organic Chemists is based on the author's first-year graduate course on quantum mechanics for Organic Chemistry majors. The book not only makes a gradual transition from elementary to advanced, but also tries an approach that allows students to have a more intuitive learning. The book covers concepts in quantum physics and topics such as the LCAO-MO Huckel Approach; group theory; and extensions, modifications, and applications of the Huckel approach. Also included in the book are the areas of three-dimensional treatments; polyelectron wave functions; the Slater determinant; and Pople's SCF equations. The text is recommended for graduate students of organic chemistry who would like to know more about the applications of quantum mechanics in their field. Quantum physicists who are interested in the field of organic chemistry would also find the book appealing.

Fundamentals of Quantum Mechanics Book

Fundamentals of Quantum Mechanics


  • Author : J. E. House
  • Publisher : Academic Press
  • Release Date : 2017-04-19
  • Genre: Science
  • Pages : 372
  • ISBN 10 : 9780128092552

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Fundamentals of Quantum Mechanics Excerpt :

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

Introduction to Quantum Mechanics with Applications to Chemistry Book
Score: 4.5
From 2 Ratings

Introduction to Quantum Mechanics with Applications to Chemistry


  • Author : Linus Pauling
  • Publisher : Courier Corporation
  • Release Date : 2012-06-08
  • Genre: Science
  • Pages : 496
  • ISBN 10 : 9780486134932

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Introduction to Quantum Mechanics with Applications to Chemistry Excerpt :

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.

Basic Molecular Quantum Mechanics Book

Basic Molecular Quantum Mechanics


  • Author : Steven A. Adelman
  • Publisher : CRC Press
  • Release Date : 2021-08-01
  • Genre: Science
  • Pages : 464
  • ISBN 10 : 9781498734004

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Basic Molecular Quantum Mechanics Excerpt :

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.

Advanced Molecular Quantum Mechanics Book

Advanced Molecular Quantum Mechanics


  • Author : R. Moss
  • Publisher : Springer Science & Business Media
  • Release Date : 2012-12-06
  • Genre: Science
  • Pages : 300
  • ISBN 10 : 9789400956889

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Advanced Molecular Quantum Mechanics Excerpt :

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.

Understanding Properties of Atoms  Molecules and Materials Book

Understanding Properties of Atoms Molecules and Materials


  • Author : Pranab Sarkar
  • Publisher : CRC Press
  • Release Date : 2022-02-18
  • Genre: Science
  • Pages : 376
  • ISBN 10 : 9781000504439

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Understanding Properties of Atoms Molecules and Materials Excerpt :

In a technology driven civilization the quest for new and smarter materials is everlasting. They are required as platforms for developing new technologies or for improving an already existing technology. The discovery of a new material is no longer chance driven or accidental, but is based on careful reasoning structured by deep understanding of the microconstituents of materials - the atoms and molecules in isolation or in an assembly. That requires fair amount of exposure to quantum and statistical mechanics. `Understanding Properties of Atoms, Molecules and Materials' is an effort (perhaps the first ever) to bring all the necessary theoretical ingredients and relevant physical information in a single volume. The book introduces the readers (first year graduates) or researchers in material chemistry/engineering to elementary quantum mechanics of atoms, molecules and solids and then goes on to make them acquainted with methods of statistical mechanics (classical as well as quantum) along with elementary principles of classical MD simulation. The basic concepts are introduced with clarity and illustrated with easy to grasp examples, thus preparing the readers for an exploration through the world of materials - the exotic and the mundane. The emphasis has been on the phenomena and what shapes them at the fundamental level. A comprehensive description of modern designing principles for materials with examples is a unique feature of the book. The highlights of the book are comprehensive introduction and analysis of Quantum states of atoms and molecules The translational symmetry and quantum states in periodic and amorphous solids Band structure and tuning Classical and quantum statistics with applications to ideal gases (photons, phonons and electrons, molecules) Quantum states in type-I and type-II superconductors (elementary theory included) Magnetic materials, materials with GMR and CMR Shape memory effects in alloys and materials 2D materials (graphene and graphene