Elementary Methods of Molecular Quantum Mechanics Book
Score: 4
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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

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

Methods of Molecular Quantum Mechanics Book

Methods of Molecular Quantum Mechanics


  • Author : Valerio Magnasco
  • Publisher : John Wiley & Sons
  • Release Date : 2010-01-12
  • Genre: Science
  • Pages : 298
  • 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.

Methods of Molecular Quantum Mechanics Book

Methods of Molecular Quantum Mechanics


  • Author : R. McWeeny
  • Publisher : Unknown
  • Release Date : 1969
  • Genre: Quantum chemistry
  • Pages : 307
  • ISBN 10 : MINN:31951000467159D

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Methods of Molecular Quantum Mechanics Excerpt :

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 completely revised the text and has added a wealth of new material and example problems. Key Features * Self-contained development of modern quantum theory of molecular electronic structure and properties * Assumes only an elementary quantum mechanics background * Mathematical methods (vector spaces, representations, group theory, etc.) built up as required * Latest advances (use of second quantization, unitary group, propagators all developed assuming no previous knowledge)

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

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

Problems in Structural Inorganic Chemistry Book

Problems in Structural Inorganic Chemistry


  • Author : Wai-Kee Li
  • Publisher : Oxford University Press, USA
  • Release Date : 2018
  • Genre: Chemistry, Inorganic
  • Pages : 470
  • ISBN 10 : 9780198823902

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Problems in Structural Inorganic Chemistry Excerpt :

This book consists of over 422 problems and their acceptable answers on structural inorganic chemistry at the senior undergraduate and beginning graduate level. The central theme running through these questions is symmetry, bonding and structure: molecular or crystalline. A wide variety of topics are covered, including Electronic States and Configurations of Atoms and Molecules, Introductory Quantum Chemistry, Atomic Orbitals, Hybrid Orbitals, Molecular Symmetry, Molecular Geometry and Bonding, Crystal Field Theory, Molecular Orbital Theory, Vibrational Spectroscopy, Crystal Structure, Transition Metal Chemistry, Metal Clusters: Bonding and Reactivity, and Bioinorganic Chemistry. The questions collected here originate from the examination papers and take-home assignments arising from the teaching of courses in Chemical Bonding, Elementary Quantum Chemistry, Advanced Inorganic Chemistry, and X-Ray Crystallography by the book's two senior authors over the past five decades. The questions have been tested by generations of students taking these courses. The questions in this volume cover essentially all the topics in a typical course in structural inorganic chemistry. The text may be used as a supplement for a variety of inorganic chemistry courses at the senior undergraduate level. It also serves as a problem text to accompany the book Advanced Structural Inorganic Chemistry, co-authored by W.-K. Li, G.-D. Zhou, and T. C. W. Mak (Oxford University Press, 2008).

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.

Quantum Mechanics I Book

Quantum Mechanics I


  • Author : S. Rajasekar
  • Publisher : CRC Press
  • Release Date : 2022-11-28
  • Genre: Science
  • Pages : 803
  • ISBN 10 : 9781000729030

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Quantum Mechanics I Excerpt :

Quantum Mechanics I: The Fundamentals provides a graduate-level account of the behavior of matter and energy at the molecular, atomic, nuclear, and sub-nuclear levels. It covers basic concepts, mathematical formalism, and applications to physically important systems. This fully updated new edition addresses many topics not typically found in books at this level, including: Bound state solutions of quantum pendulum Morse oscillator Solutions of classical counterpart of quantum mechanical systems A criterion for bound state Scattering from a locally periodic potential and reflection-less potential Modified Heisenberg relation Wave packet revival and its dynamics An asymptotic method for slowly varying potentials Klein paradox, Einstein-Podolsky-Rosen (EPR) paradox, and Bell’s theorem Delayed-choice experiments Fractional quantum mechanics Numerical methods for quantum systems A collection of problems at the end of each chapter develops students’ understanding of both basic concepts and the application of theory to various physically important systems. This book, along with the authors’ follow-up Quantum Mechanics II: Advanced Topics, provides students with a broad, up-to-date introduction to quantum mechanics. Print Versions of this book also include access to the ebook version.

Models for Bonding in Chemistry Book

Models for Bonding in Chemistry


  • Author : Valerio Magnasco
  • Publisher : John Wiley & Sons
  • Release Date : 2011-07-22
  • Genre: Science
  • Pages : 232
  • ISBN 10 : 9781119957348

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Models for Bonding in Chemistry Excerpt :

A readable little book assisting the student in understanding, in a nonmathematical way, the essentials of the different bonds occurring in chemistry. Starting with a short, self-contained,introduction, Chapter 1 presents the essential elements of the variation approach to either total or second-order molecular energies, the system of atomic units (au) necessary to simplify all mathematical expressions, and an introductory description of the electron distribution in molecules. Using mostly 2x2 Hückel secular equations, Chapter 2, by far the largest part of the book because of the many implications of the chemical bond, introduces a model of bonding in homonuclear and heteronuclear diatomics, multiple and delocalized bonds in hydrocarbons, and the stereochemistry of chemical bonds in polyatomic molecules, in a word, a model of the strong first-order interactions originating the chemical bond. In Chapter 3 the Hückel model of the linear polyene chain is used to explain the origin of band structure in the 1-dimensional crystal. Chapter 4 deals with a simple two-state model of weak interactions, introducing the reader to understand second-order electric properties of molecules and VdW bonding between closed shells. Lastly, Chapter 5 studies the structure of H-bonded dimers and the nature of the hydrogen bond, which has a strength intermediate between a VdW bond and a weak chemical bond. Besides a qualitative MO approach based on HOMO-LUMO charge transfer from an electron donor to an electron acceptor molecule, a quantitative electrostatic approach is presented yielding an electrostatic model working even at its simplest pictorial level. A list of alphabetically ordered references, author and subject indices complete the book.

Advanced Structural Inorganic Chemistry Book

Advanced Structural Inorganic Chemistry


  • Author : Wai-Kee Li
  • Publisher : OUP Oxford
  • Release Date : 2008-03-27
  • Genre: Science
  • Pages : 848
  • ISBN 10 : 9780191527142

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Advanced Structural Inorganic Chemistry Excerpt :

This book is a revised and updated English edition of a textbook that has grown out of several years of teaching. The term "inorganic" is used in a broad sense as the book covers the structural chemistry of representative elements (including carbon) in the periodic table, organometallics, coordination polymers, host-guest systems and supramolecular assemblies. Part I of the book reviews the basic bonding theories, including a chapter on computational chemistry. Part II introduces point groups and space groups and their chemical applications. Part III comprises a succinct account of the structural chemistry of the elements in the periodic table. It presents structure and bonding, generalizations of structural trends, crystallographic data, as well as highlights from the recent literature.

Asymptotic Methods in Quantum Mechanics Book

Asymptotic Methods in Quantum Mechanics


  • Author : S.H. Patil
  • Publisher : Springer Science & Business Media
  • Release Date : 2012-12-06
  • Genre: Science
  • Pages : 174
  • ISBN 10 : 9783642573170

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Asymptotic Methods in Quantum Mechanics Excerpt :

Quantum mechanics and the Schrodinger equation are the basis for the de scription of the properties of atoms, molecules, and nuclei. The development of reliable, meaningful solutions for the energy eigenfunctions of these many is a formidable problem. The usual approach for obtaining particle systems the eigenfunctions is based on their variational extremum property of the expectation values of the energy. However the complexity of these variational solutions does not allow a transparent, compact description of the physical structure. There are some properties of the wave functions in some specific, spatial domains, which depend on the general structure of the Schrodinger equation and the electromagnetic potential. These properties provide very useful guidelines in developing simple and accurate solutions for the wave functions of these systems, and provide significant insight into their physical structure. This point, though of considerable importance, has not received adequate attention. Here we present a description of the local properties of the wave functions of a collection of particles, in particular the asymptotic properties when one of the particles is far away from the others. The asymptotic behaviour of this wave function depends primarily on the separation energy of the outmost particle. The universal significance of the asymptotic behaviour of the wave functions should be appreciated at both research and pedagogic levels. This is the main aim of our presentation here.

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.

Computational Chemistry Book

Computational Chemistry


  • Author : Errol G. Lewars
  • Publisher : Springer Science & Business Media
  • Release Date : 2007-05-08
  • Genre: Science
  • Pages : 471
  • ISBN 10 : 9780306483912

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Computational Chemistry Excerpt :

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.