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Elementary Molecular Quantum Mechanics

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Elementary Molecular Quantum Mechanics

Elementary Molecular Quantum Mechanics Book
Author : Valerio Magnasco
Publisher : Elsevier
Release : 2013-08-07
ISBN : 0444626662
Language : En, Es, Fr & De

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Book Description :

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 Book
Author : Valerio Magnasco
Publisher : Elsevier
Release : 2006-12-20
ISBN : 9780080466804
Language : En, Es, Fr & De

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Book Description :

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

Elementary Molecular Quantum Mechanics Book
Author : Valerio Magnasco
Publisher : Elsevier Science
Release : 2013
ISBN : 9780444626479
Language : En, Es, Fr & De

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Book Description :

Revison of: Elementary methods of molecular quantum mechanics.

Methods of Molecular Quantum Mechanics

Methods of Molecular Quantum Mechanics Book
Author : Valerio Magnasco
Publisher : John Wiley & Sons
Release : 2009-12-21
ISBN : 0470684429
Language : En, Es, Fr & De

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Book Description :

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.

Molecular Quantum Dynamics

Molecular Quantum Dynamics Book
Author : Fabien Gatti
Publisher : Springer Science & Business Media
Release : 2014-04-09
ISBN : 3642452906
Language : En, Es, Fr & De

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Book Description :

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.

Molecular Physics and Elements of Quantum Chemistry

Molecular Physics and Elements of Quantum Chemistry Book
Author : Hermann Haken,Hans Christoph Wolf
Publisher : Springer Science & Business Media
Release : 2013-03-09
ISBN : 3662030756
Language : En, Es, Fr & De

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Book Description :

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.

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry Book
Author : Lucjan Piela
Publisher : Elsevier
Release : 2006-11-28
ISBN : 9780080466767
Language : En, Es, Fr & De

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Book Description :

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

Elementary Quantum Chemistry

Elementary Quantum Chemistry Book
Author : Frank L. Pilar
Publisher : Courier Corporation
Release : 2001-01-01
ISBN : 9780486414645
Language : En, Es, Fr & De

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Book Description :

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.

Basic Molecular Quantum Mechanics

Basic Molecular Quantum Mechanics Book
Author : Steven A. Adelman
Publisher : CRC Press
Release : 2021-08-01
ISBN : 1498734006
Language : En, Es, Fr & De

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Book Description :

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

Advanced Molecular Quantum Mechanics Book
Author : R. Moss
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 9400956886
Language : En, Es, Fr & De

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Book Description :

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.

Multiscale Modeling in Nanophotonics

Multiscale Modeling in Nanophotonics Book
Author : Alexander Bagaturyants,Mikhail Vener
Publisher : CRC Press
Release : 2017-11-22
ISBN : 1351614061
Language : En, Es, Fr & De

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Book Description :

The idea of theoretically predicting the useful properties of various materials using multiscale simulations has become popular in recent years. Of special interest are nanostructured, organic functional materials, which have a hierarchical structure and are considered materials of the future because of their flexibility and versatility. Their functional properties are inherited from the molecule that lies at the heart of the hierarchical structure. On the other hand, the properties of this functional molecule, in particular its absorption and emission spectra, strongly depend on its interactions with its molecular environment. Therefore, the multiscale simulations used to predict the properties of organic functional materials should be atomistic, that is, they should be based on classical and/or quantum methods that explicitly take into account the molecular structure and intermolecular interactions at the atomic level. This book, written by well-known specialists in theoretical chemistry, focuses on the basics of classical mechanics, quantum chemistry methods used for molecular disordered materials, classical methods of molecular simulations of disordered materials, vibronic interactions, and applications (presented as multiscale strategies for atomistic simulations of photonic materials). It has been edited by Professor Mikhail Alfimov, a renowned Russian scientist, a full member of the Russian Academy of Sciences, Russia, and the founder, first director, and now research supervisor of the Photochemistry Center of the Russian Academy of Science, Russia. Professor Alfimov’s main research interests are in the field of photochemistry and photophysics of molecular and supramolecular systems. The book is a great reference for advanced undergraduate- and graduate-level students of nanotechnology and molecular science and researchers in nano- and molecular science, nanotechnology, chemistry, and physical chemistry, especially those with an interest in functional materials.

Molecular Quantum Mechanics

Molecular Quantum Mechanics Book
Author : Peter W. Atkins,Ronald S. Friedman
Publisher : Oxford University Press
Release : 2011
ISBN : 0199541426
Language : En, Es, Fr & De

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Book Description :

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.

Intermolecular Interactions in Crystals

Intermolecular Interactions in Crystals Book
Author : Juan J Novoa
Publisher : Royal Society of Chemistry
Release : 2017-10-25
ISBN : 1788013336
Language : En, Es, Fr & De

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Book Description :

The field of crystal engineering concerns the design and synthesis of molecular crystals with desired properties. This requires an in-depth understanding of the intermolecular interactions within crystal structures. This new book brings together the latest information and theories about intermolecular bonding, providing an introductory text for graduates. The book is divided into three parts. The first part covers the nature, physical meaning and methods for identification and analysis of intermolecular bonds. The second part explains the different types of bond known to occur in molecular crystals, with each chapter written by a specialist in that specific bond type. The final part discusses the cooperativity effects of different bond types present in one solid. This comprehensive textbook will provide a valuable resource for all students and researchers in the field of crystallography, materials science and supramolecular chemistry.

Quantum Mechanics for Organic Chemists

Quantum Mechanics for Organic Chemists Book
Author : Howard E. Zimmerman
Publisher : Unknown
Release : 1975
ISBN : 9780127816517
Language : En, Es, Fr & De

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Book Description :

Download Quantum Mechanics for Organic Chemists book written by Howard E. Zimmerman, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Methods of Molecular Quantum Mechanics

Methods of Molecular Quantum Mechanics Book
Author : R. McWeeny,B.T. Sutcliffe
Publisher : Unknown
Release : 1976
ISBN : 0987650XXX
Language : En, Es, Fr & De

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Book Description :

Download Methods of Molecular Quantum Mechanics book written by R. McWeeny,B.T. Sutcliffe, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Fundamentals of Quantum Mechanics

Fundamentals of Quantum Mechanics Book
Author : Sakir Erkoc
Publisher : CRC Press
Release : 2006-07-28
ISBN : 1000738191
Language : En, Es, Fr & De

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Book Description :

Providing a unified account of nonrelativistic quantum mechanics, Fundamentals of Quantum Mechanics covers the principles and formalism of quantum mechanics and the development and application of general techniques for the solution of quantum mechanical problems. The author has done everything possible to make the math in this book accessible.The b

Problems in Structural Inorganic Chemistry

Problems in Structural Inorganic Chemistry Book
Author : Wai-Kee Li,Yu-San Cheung,Kendrew Kin Wah Mak,Thomas Chung Wai Mak
Publisher : Oxford University Press
Release : 2013
ISBN : 0199658498
Language : En, Es, Fr & De

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Book Description :

This volume serves as a problem text to accompany the book Advanced Structural Inorganic Chemistry (Oxford University Press, 2008). It may also be used as a supplement for a variety of inorganic chemistry courses at the senior undergraduate level.

Molecular Driving Forces

Molecular Driving Forces Book
Author : Ken Dill,Sarina Bromberg
Publisher : Garland Science
Release : 2010-10-21
ISBN : 1136672990
Language : En, Es, Fr & De

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Book Description :

Molecular Driving Forces, Second Edition E-book is an introductory statistical thermodynamics text that describes the principles and forces that drive chemical and biological processes. It demonstrates how the complex behaviors of molecules can result from a few simple physical processes, and how simple models provide surprisingly accurate insights into the workings of the molecular world. Widely adopted in its First Edition, Molecular Driving Forces is regarded by teachers and students as an accessible textbook that illuminates underlying principles and concepts. The Second Edition includes two brand new chapters: (1) "Microscopic Dynamics" introduces single molecule experiments; and (2) "Molecular Machines" considers how nanoscale machines and engines work. "The Logic of Thermodynamics" has been expanded to its own chapter and now covers heat, work, processes, pathways, and cycles. New practical applications, examples, and end-of-chapter questions are integrated throughout the revised and updated text, exploring topics in biology, environmental and energy science, and nanotechnology. Written in a clear and reader-friendly style, the book provides an excellent introduction to the subject for novices while remaining a valuable resource for experts.

Basic Principles and Techniques of Molecular Quantum Mechanics

Basic Principles and Techniques of Molecular Quantum Mechanics Book
Author : Ralph E. Christoffersen
Publisher : Springer Science & Business Media
Release : 2013-03-08
ISBN : 1468463608
Language : En, Es, Fr & De

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Book Description :

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.

Problems in Quantum Mechanics

Problems in Quantum Mechanics Book
Author : Emilio d'Emilio,Luigi E. Picasso
Publisher : Springer
Release : 2017-03-02
ISBN : 3319532677
Language : En, Es, Fr & De

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Book Description :

This second edition of an extremely well-received book presents more than 250 nonrelativistic quantum mechanics problems of varying difficulty with the aim of providing students didactic material of proven value, allowing them to test their comprehension and mastery of each subject. The coverage is extremely broad, from themes related to the crisis of classical physics through achievements within the framework of modern atomic physics to lively debated, intriguing aspects relating to, for example, the EPR paradox, the Aharonov-Bohm effect, and quantum teleportation. Compared with the first edition, a variety of improvements have been made and additional topics of interest included, especially focusing on elementary potential scattering. The problems themselves range from standard and straightforward ones to those that are complex but can be considered essential because they address questions of outstanding importance or aspects typically overlooked in primers. The book offers students both an excellent tool for independent learning and a ready-reference guide they can return to later in their careers.