Elementary Molecular Quantum Mechanics

Elementary Molecular Quantum Mechanics
Author: Valerio Magnasco
Publsiher: Elsevier
Total Pages: 1012
Release: 2013-08-07
ISBN 10: 0444626662
ISBN 13: 9780444626660
Language: EN, FR, DE, ES & NL

Elementary Molecular Quantum Mechanics Book Review:

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
Publsiher: Elsevier
Total Pages: 748
Release: 2006-12-20
ISBN 10: 9780080466804
ISBN 13: 008046680X
Language: EN, FR, DE, ES & NL

Elementary Methods of Molecular Quantum Mechanics Book Review:

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

Methods of Molecular Quantum Mechanics
Author: R. McWeeny,Brian T. Sutcliffe
Publsiher: Unknown
Total Pages: 307
Release: 1969
ISBN 10:
ISBN 13: MINN:31951000467159D
Language: EN, FR, DE, ES & NL

Methods of Molecular Quantum Mechanics Book Review:

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)

Methods of Molecular Quantum Mechanics

Methods of Molecular Quantum Mechanics
Author: Valerio Magnasco
Publsiher: John Wiley & Sons
Total Pages: 298
Release: 2010-01-12
ISBN 10: 0470684429
ISBN 13: 9780470684429
Language: EN, FR, DE, ES & NL

Methods of Molecular Quantum Mechanics Book Review:

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

Methods of Molecular Quantum Mechanics
Author: R. McWeeny
Publsiher: Unknown
Total Pages: 573
Release: 1992
ISBN 10: 9780124865525
ISBN 13: 0124865526
Language: EN, FR, DE, ES & NL

Methods of Molecular Quantum Mechanics Book Review:

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

Ideas of Quantum Chemistry
Author: Lucjan Piela
Publsiher: Elsevier
Total Pages: 1120
Release: 2006-11-28
ISBN 10: 9780080466767
ISBN 13: 0080466761
Language: EN, FR, DE, ES & NL

Ideas of Quantum Chemistry Book Review:

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

Computational Chemistry

Computational Chemistry
Author: Errol G. Lewars
Publsiher: Springer Science & Business Media
Total Pages: 471
Release: 2007-05-08
ISBN 10: 0306483912
ISBN 13: 9780306483912
Language: EN, FR, DE, ES & NL

Computational Chemistry Book Review:

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.

Elementary Quantum Chemistry

Elementary Quantum Chemistry
Author: Frank L. Pilar
Publsiher: Courier Corporation
Total Pages: 599
Release: 2001-01-01
ISBN 10: 9780486414645
ISBN 13: 0486414647
Language: EN, FR, DE, ES & NL

Elementary Quantum Chemistry Book Review:

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 For Organic Chemists

Quantum Mechanics For Organic Chemists
Author: Howard Zimmerman
Publsiher: Elsevier
Total Pages: 226
Release: 2012-12-02
ISBN 10: 0323159745
ISBN 13: 9780323159746
Language: EN, FR, DE, ES & NL

Quantum Mechanics For Organic Chemists Book Review:

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.

Relativistic Quantum Chemistry

Relativistic Quantum Chemistry
Author: Markus Reiher,Alexander Wolf
Publsiher: John Wiley & Sons
Total Pages: 669
Release: 2009-02-17
ISBN 10: 3527312927
ISBN 13: 9783527312924
Language: EN, FR, DE, ES & NL

Relativistic Quantum Chemistry Book Review:

Written by two researchers in the field, this book is a reference to explain the principles and fundamentals in a self–contained, complete and consistent way. Much attention is paid to the didactical value, with the chapters interconnected and based on each other. From the contents: ∗ Fundamentals ∗ Relativistic Theory of a Free Electron: Dirac´s Equation ∗ Dirac Theory of a Single Electron in a Central Potential ∗ Many–Electron Theory I: Quantum Electrodynamics ∗ Many–Electron Theory II: Dirac–Hartree–Fock Theory ∗ Elimination of the Small Component ∗ Unitary Transformation Schemes ∗ Relativistic Density Functional Theory ∗ Physical Observables and Molecular Properties ∗ Interpretive Approach to Relativistic Quantum Chemistry From beginning to end, the authors deduce all the concepts and rules, such that readers are able to understand the fundamentals and principles behind the theory. Essential reading for theoretical chemists and physicists.

Introduction to Quantum Mechanics with Applications to Chemistry

Introduction to Quantum Mechanics with Applications to Chemistry
Author: Linus Pauling,E. Bright Wilson
Publsiher: Courier Corporation
Total Pages: 496
Release: 2012-06-08
ISBN 10: 0486134938
ISBN 13: 9780486134932
Language: EN, FR, DE, ES & NL

Introduction to Quantum Mechanics with Applications to Chemistry Book Review:

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.

Methods of Molecular Quantum Mechanics

Methods of Molecular Quantum Mechanics
Author: Valerio Magnasco
Publsiher: John Wiley & Sons
Total Pages: 298
Release: 2009-10-29
ISBN 10: 0470684542
ISBN 13: 9780470684542
Language: EN, FR, DE, ES & NL

Methods of Molecular Quantum Mechanics Book Review:

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.

Chemical Applications of Molecular Quantum Theory

Chemical Applications of Molecular Quantum Theory
Author: Steven Ray Ungemach
Publsiher: Unknown
Total Pages: 304
Release: 1977
ISBN 10:
ISBN 13: UCAL:C3517524
Language: EN, FR, DE, ES & NL

Chemical Applications of Molecular Quantum Theory Book Review:

Uncommon Paths in Quantum Physics

Uncommon Paths in Quantum Physics
Author: Konstantin V. Kazakov
Publsiher: Elsevier
Total Pages: 206
Release: 2014-06-26
ISBN 10: 0128015985
ISBN 13: 9780128015988
Language: EN, FR, DE, ES & NL

Uncommon Paths in Quantum Physics Book Review:

Quantum mechanics is one of the most fascinating, and at the same time most controversial, branches of contemporary science. Disputes have accompanied this science since its birth and have not ceased to this day. Uncommon Paths in Quantum Physics allows the reader to contemplate deeply some ideas and methods that are seldom met in the contemporary literature. Instead of widespread recipes of mathematical physics, based on the solutions of integro-differential equations, the book follows logical and partly intuitional derivations of non-commutative algebra. Readers can directly penetrate the abstract world of quantum mechanics. First book in the market that treats this newly developed area of theoretical physics; the book will thus provide a fascinating overview of the prospective applications of this area, strongly founded on the theories and methods that it describes. Provides a solid foundation for the application of quantum theory to current physical problems arising in the interpretation of molecular spectra and important effects in quantum field theory. New insight into the physics of anharmonic vibrations, more feasible calculations with improved precision.

Molecular Quantum Dynamics

Molecular Quantum Dynamics
Author: Fabien Gatti
Publsiher: Springer Science & Business Media
Total Pages: 273
Release: 2014-04-09
ISBN 10: 3642452906
ISBN 13: 9783642452901
Language: EN, FR, DE, ES & NL

Molecular Quantum Dynamics Book Review:

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 mechanical resonances, entanglement, etc. The chosen examples highlight that high-level experiments and theory need to work closely together. This book thus is a must-read both for researchers working experimentally or theoretically in the concerned fields, and generally for anyone interested in the exciting world of molecular quantum dynamics.

Algebraic Methods in Quantum Chemistry and Physics

Algebraic Methods in Quantum Chemistry and Physics
Author: Francisco M. Fernandez,E.A. Castro
Publsiher: CRC Press
Total Pages: 288
Release: 2020-03-31
ISBN 10: 100072266X
ISBN 13: 9781000722666
Language: EN, FR, DE, ES & NL

Algebraic Methods in Quantum Chemistry and Physics Book Review:

Algebraic Methods in Quantum Chemistry and Physics provides straightforward presentations of selected topics in theoretical chemistry and physics, including Lie algebras and their applications, harmonic oscillators, bilinear oscillators, perturbation theory, numerical solutions of the Schrödinger equation, and parameterizations of the time-evolution operator. The mathematical tools described in this book are presented in a manner that clearly illustrates their application to problems arising in theoretical chemistry and physics. The application techniques are carefully explained with step-by-step instructions that are easy to follow, and the results are organized to facilitate both manual and numerical calculations. Algebraic Methods in Quantum Chemistry and Physics demonstrates how to obtain useful analytical results with elementary algebra and calculus and an understanding of basic quantum chemistry and physics.

The Principles of Quantum Mechanics

The Principles of Quantum Mechanics
Author: P. A. M. Dirac
Publsiher: Lulu Press, Inc
Total Pages: 329
Release: 2019-12-01
ISBN 10: 1794767118
ISBN 13: 9781794767119
Language: EN, FR, DE, ES & NL

The Principles of Quantum Mechanics Book Review:

"The standard work in the fundamental principles of quantum mechanics, indispensable both to the advanced student and to the mature research worker, who will always find it a fresh source of knowledge and stimulation." --Nature "This is the classic text on quantum mechanics. No graduate student of quantum theory should leave it unread"--W.C Schieve, University of Texas

Fundamentals of Quantum Mechanics

Fundamentals of Quantum Mechanics
Author: J. E. House
Publsiher: Academic Press
Total Pages: 372
Release: 2017-04-19
ISBN 10: 0128092556
ISBN 13: 9780128092552
Language: EN, FR, DE, ES & NL

Fundamentals of Quantum Mechanics Book Review:

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

Fundamentals of Quantum Chemistry

Fundamentals of Quantum Chemistry
Author: Michael P. Mueller
Publsiher: Springer Science & Business Media
Total Pages: 265
Release: 2007-05-08
ISBN 10: 0306475669
ISBN 13: 9780306475665
Language: EN, FR, DE, ES & NL

Fundamentals of Quantum Chemistry Book Review:

As quantum theory enters its second century, it is fitting to examine just how far it has come as a tool for the chemist. Beginning with Max Planck’s agonizing conclusion in 1900 that linked energy emission in discreet bundles to the resultant black-body radiation curve, a body of knowledge has developed with profound consequences in our ability to understand nature. In the early years, quantum theory was the providence of physicists and certain breeds of physical chemists. While physicists honed and refined the theory and studied atoms and their component systems, physical chemists began the foray into the study of larger, molecular systems. Quantum theory predictions of these systems were first verified through experimental spectroscopic studies in the electromagnetic spectrum (microwave, infrared and ultraviolet/visible), and, later, by nuclear magnetic resonance (NMR) spectroscopy. Over two generations these studies were hampered by two major drawbacks: lack of resolution of spectroscopic data, and the complexity of calculations. This powerful theory that promised understanding of the fundamental nature of molecules faced formidable challenges. The following example may put things in perspective for today’s chemistry faculty, college seniors or graduate students: As little as 40 years ago, force field calculations on a molecule as simple as ketene was a four to five year dissertation project.

A New Dimension to Quantum Chemistry

A New Dimension to Quantum Chemistry
Author: Yukio Yamaguchi,Center for Computational Quantum Chemistry Yukio Yamaguchi,Henry F. Schaefer,Yoshihiro Osamura,John D. Goddard,Professor of Chemistry J Goddard,Both at Center for Computational Quantum Chemistry Henry F Schaefer
Publsiher: Oxford University Press, USA
Total Pages: 471
Release: 1994
ISBN 10:
ISBN 13: UOM:39015032828736
Language: EN, FR, DE, ES & NL

A New Dimension to Quantum Chemistry Book Review:

In modern theoretical chemistry, the importance of the analytic evaluation of energy derivatives from reliable wave functions can hardly be overestimated. This monograph presents the formulation and implementation of analytical energy derivative methods in ab initio quantum chemistry. It includes a systematic presentation of the necessary algebraic formulae for all of the derivations. The coverage is limited to derivative methods for wave functions based on the variational principle, namely restricted Hartree-Fock (RHF), configuration interaction (CI) and multi-configuration self-consistent-field (MCSCF) wave functions. The monograph is intended to facilitate the work of quantum chemists, and will serve as a useful resource for graduate-level students of the field.