November 27, 2020

Download Ebook Free Ideas Of Quantum Chemistry

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry
Author : Lucjan Piela
Publisher : Elsevier
Release Date : 2006-11-28
Category : Science
Total pages :1120
GET BOOK

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

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry
Author : Lucjan Piela
Publisher : Elsevier
Release Date : 2020-01-11
Category : Science
Total pages :685
GET BOOK

Ideas of Quantum Chemistry, Volume Two: Interactions highlights the motions and systems in quantum chemistry and the models and tools used to assess them, thus giving detailed insights into the behaviors underlying quantum chemistry. Using an innovative structure to show the logical relationships between different topics, systems and methods, it answers questions and emphasizes knowledge using practical examples. Beginning with a review of the orbital model of electronic motion in periodic systems, the book goes on to explore the correlation of electronic motions, density functional theory (DFT), electric and magnetic fields, intermolecular interactions, chemical reactions and information processing. This third release has been updated and revised to cover the latest developments in the field. It can be used on its own as a guide to key interactions and tools or in combination with Volume Two to give a complete overview of the field. Features a practical range of quantum chemical problems throughout to support further understanding of interactions Uses informal language and unique structure to make complex topics accessible Includes new sections on Electronic Currents, Electron Autocorrelation and Spintronics

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry
Author : Lucjan Piela
Publisher : Elsevier
Release Date : 2013-11-21
Category : Science
Total pages :1078
GET BOOK

Ideas of Quantum Chemistry shows how quantum mechanics is applied to chemistry to give it a theoretical foundation. From the Schroedinger equation to electronic and nuclear motion to intermolecular interactions, this book covers the primary quantum underpinnings of chemical systems. The structure of the book (a TREE-form) emphasizes the logical relationships among 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 digestible 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. An appendix on the Internet supplements this book. 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

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry
Author : Lucjan Piela
Publisher : Elsevier
Release Date : 2020-01-11
Category : Science
Total pages :795
GET BOOK

Ideas of Quantum Chemistry, Volume One: From Quantum Physics to Chemistry shows how quantum mechanics is applied to molecular sciences to provide a theoretical foundation. Organized into digestible sections and written in an accessible style, it answers questions, highlighting the most important conclusions and essential mathematical formulae. Beginning with an introduction to the magic of quantum mechanics, the book goes on to review such key topics as the Schrödinger Equation, exact solutions, and fundamental approximate methods. The crucial concept of molecular shape is then discussed, followed by the motion of nuclei and the orbital model of electronic structure. This updated volume covers the latest developments in the field and can be used either on its own as a detailed introduction to quantum chemistry or in combination with Volume Two to give a complete overview of the field. Provides fully updated coverage on an extensive range of both foundational and complex topics Uses an innovative structure to emphasize relationships between topics and help readers tailor their own path through the book Includes new sections on Time-Energy Uncertainty and Virial Theorem

Modern Quantum Chemistry

Modern Quantum Chemistry
Author : Attila Szabo,Neil S. Ostlund
Publisher : Courier Corporation
Release Date : 2012-06-08
Category : Science
Total pages :480
GET BOOK

This graduate-level text explains the modern in-depth approaches to the calculation of electronic structure and the properties of molecules. Largely self-contained, it features more than 150 exercises. 1989 edition.

Quantum Chemistry

Quantum Chemistry
Author : Ajit Thakkar
Publisher : Morgan & Claypool Publishers
Release Date : 2017-10-03
Category : Science
Total pages :135
GET BOOK

This book provides non-specialists with a basic understanding ofthe underlying concepts of quantum chemistry. It is both a text for second or third-year undergraduates and a reference for researchers who need a quick introduction or refresher. All chemists and many biochemists, materials scientists, engineers, and physicists routinely user spectroscopic measurements and electronic structure computations in their work. The emphasis of Quantum Chemistry on explaining ideas rather than enumerating facts or presenting procedural details makes this an excellent foundation text/reference. The keystone is laid in the first two chapters which deal with molecular symmetry and the postulates of quantum mechanics, respectively. Symmetry is woven through the narrative of the next three chapters dealing with simple models of translational, rotational, and vibrational motion that underlie molecular spectroscopy and statistical thermodynamics. The next two chapters deal with the electronic structure of the hydrogen atom and hydrogen molecule ion, respectively. Having been armed with a basic knowledge of these prototypical systems, the reader is ready to learn, in the next chapter, the fundamental ideas used to deal with the complexities of many-electron atoms and molecules. These somewhat abstract ideas are illustrated with the venerable Huckel model of planar hydrocarbons in the penultimate chapter. The book concludes with an explanation of the bare minimum of technical choices that must be made to do meaningful electronic structure computations using quantum chemistry software packages.

Quantum Chemistry Atoms Molecules

Quantum Chemistry Atoms Molecules
Author : Philip S. C. Matthews,Philip S. Matthews,Matthews
Publisher : CUP Archive
Release Date : 1986-12-11
Category : Science
Total pages :167
GET BOOK

In this book, Dr Matthews emphasises the fundamental ideas of quantum theory as they relate to mainstream areas of chemistry such as bonding and spectroscopy; elementary ideas on the use of symmetry are also included. No prior knowledge of quantum theory is assumed, and considerable help is given to the student in understanding the mathematics that is involved. Much of this mathematics is integrated into the text, but the more intricate portions are to be found in separate boxes; these can be left on a first reading and returned to later. There are also questions and problems at the end of nearly every section, and these are designed to test the student's understanding of the text and to give fresh insights into the work; full answers are provided.

Experimental Quantum chemistry

Experimental Quantum chemistry
Author : Peter Hedvig
Publisher : Elsevier
Release Date : 2012-12-02
Category : Science
Total pages :534
GET BOOK

Experimental Quantum Chemistry is a comprehensive account of experimental quantum chemistry and covers topics ranging from basic quantum theory to atoms and ions, photons, electrons, and positrons. Nuclei, molecules, and free radicals are also discussed. This volume is comprised of eight chapters and begins with an overview of the basic experiments and ideas leading to the development of quantum theory, with special emphasis on the problems of chemistry. The main properties of electromagnetic radiation are then considered, along with the most important relations of electrons and positrons in chemistry; the quantum theory of isolated atoms and ions; the structure of nuclei and the main applications to organic chemistry; and the chemical structure and reactivity of molecules. The theoretical and experimental aspects of interpreting free radical structures on the basis of the molecular orbital and valence bond theories are also explored. The final chapter is devoted to the chemistry of the organic solid state, paying particular attention to the structure and molecular mobilities of organic solids, collective crystal states (excitons, phonons, and polaritons), energy transfer processes, and reactions in the solid state. This book should be of interest to physicists and organic chemists.

Introduction to Quantum Mechanics with Applications to Chemistry

Introduction to Quantum Mechanics with Applications to Chemistry
Author : Linus Pauling,E. Bright Wilson
Publisher : Courier Corporation
Release Date : 2012-06-08
Category : Science
Total pages :496
GET BOOK

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.

Handbook of Computational Quantum Chemistry

Handbook of Computational Quantum Chemistry
Author : David B. Cook
Publisher : Courier Corporation
Release Date : 2005-08-02
Category : Science
Total pages :805
GET BOOK

This comprehensive text provides upper-level undergraduates and graduate students with an accessible introduction to the implementation of quantum ideas in molecular modeling, exploring practical applications alongside theoretical explanations. Topics include the Hartree-Fock method; matrix SCF equations; implementation of the closed-shell case; introduction to molecular integrals; and much more. 1998 edition.

Mathematical Concepts of Quantum Mechanics

Mathematical Concepts of Quantum Mechanics
Author : Stephen J. Gustafson,Israel Michael Sigal
Publisher : Springer Science & Business Media
Release Date : 2011-09-24
Category : Mathematics
Total pages :382
GET BOOK

The book gives a streamlined introduction to quantum mechanics while describing the basic mathematical structures underpinning this discipline. Starting with an overview of key physical experiments illustrating the origin of the physical foundations, the book proceeds with a description of the basic notions of quantum mechanics and their mathematical content. It then makes its way to topics of current interest, specifically those in which mathematics plays an important role. The more advanced topics presented include many-body systems, modern perturbation theory, path integrals, the theory of resonances, quantum statistics, mean-field theory, second quantization, the theory of radiation (non-relativistic quantum electrodynamics), and the renormalization group. With different selections of chapters, the book can serve as a text for an introductory, intermediate, or advanced course in quantum mechanics. The last four chapters could also serve as an introductory course in quantum field theory.

Quantum Mechanics

Quantum Mechanics
Author : Shabnam Siddiqui
Publisher : CRC Press
Release Date : 2018-10-10
Category : Science
Total pages :240
GET BOOK

Quantum mechanics is one of the most challenging subjects to learn. It is challenging because quantum phenomenon is counterintuitive, and the mathematics used to explain such a phenomenon is very abstract, and difficult to grasp. This textbook is an attempt to overcome these challenges. Every chapter presents quantum ideas step- by- step in a structured way with a comparison between quantum and classical concepts. It provides a clear distinction between classical and quantum logic. Conceptual questions are provided after every important section so that the reader can test their understanding at every step. Such an approach aids in preventing misconceptions. Problem solving is not restricted to solving differential equations and integration. But it requires to systematically and creatively analyze a problem, to apply the new and powerful concepts for finding a solution and to understand the physical meaning of the solution. The tutorials on special topics are an effort to teach problem solving by actively engaging the reader in a thinking process, to apply the concepts and to understand the physical meaning of the solution. The simulations are provided for some of the topics. The simulations aid in the visualization of the quantum phenomenon, and for meaningful understanding of the mathematics. This approach may lead to development of "quantum mechanical intuition "as well as learning mathematical techniques for problem solving. Most importantly, the book is not flooded with numerous topics that makes the reader confused and distracted, rather the most important topics are discussed at a deeper level. The understanding of quantum mechanics is incomplete without understanding the early ideas and experiments that lead to the development of the quantum theory. Thus, the first two chapters of the book are dedicated to such topics. The key features of this book are: A simplified, structured, and step-by-step introduction to quantum mechanics. The simplification is attained through use of two-level system, step- by- step discussion of important topics in a simplified language at a deeper level, analogies, and visualization using illustrations and simulations A systematic arrangement of topics, and numerous worked- out examples. The presentation of the structure in the mathematical formalism of quantum mechanics provides clarity in understanding complicated and abstract mathematics. It also helps to understand the distinction between the quantum mechanical and classical approaches Conceptual questions at the end of every important section. The conceptual questions can be used in a classroom as a point of discussion between an instructor and students Tutorials on special topics. Simulations on special topics aid in the visualization of the physical phenomenon, and demonstration of the application of mathematics An in-depth discussion of the wave-particle duality, measurement problem, and their philosophical implications in Chapter 2 provides an understanding of the broader meaning of quantum mechanics

Neither Physics Nor Chemistry

Neither Physics Nor Chemistry
Author : Kōstas Gavroglou,Ana Simões
Publisher : MIT Press
Release Date : 2012
Category : Science
Total pages :351
GET BOOK

The evolution of a discipline at the intersection of physics, chemistry, and mathematics.

Quantum Mechanics with Applications to Nanotechnology and Information Science

Quantum Mechanics with Applications to Nanotechnology and Information Science
Author : Yehuda B. Band,Yshai Avishai
Publisher : Academic Press
Release Date : 2013-01-10
Category : Science
Total pages :992
GET BOOK

Quantum mechanics transcends and supplants classical mechanics at the atomic and subatomic levels. It provides the underlying framework for many subfields of physics, chemistry and materials science, including condensed matter physics, atomic physics, molecular physics, quantum chemistry, particle physics, and nuclear physics. It is the only way we can understand the structure of materials, from the semiconductors in our computers to the metal in our automobiles. It is also the scaffolding supporting much of nanoscience and nanotechnology. The purpose of this book is to present the fundamentals of quantum theory within a modern perspective, with emphasis on applications to nanoscience and nanotechnology, and information-technology. As the frontiers of science have advanced, the sort of curriculum adequate for students in the sciences and engineering twenty years ago is no longer satisfactory today. Hence, the emphasis on new topics that are not included in older reference texts, such as quantum information theory, decoherence and dissipation, and on applications to nanotechnology, including quantum dots, wires and wells. This book provides a novel approach to Quantum Mechanics whilst also giving readers the requisite background and training for the scientists and engineers of the 21st Century who need to come to grips with quantum phenomena The fundamentals of quantum theory are provided within a modern perspective, with emphasis on applications to nanoscience and nanotechnology, and information-technology Older books on quantum mechanics do not contain the amalgam of ideas, concepts and tools necessary to prepare engineers and scientists to deal with the new facets of quantum mechanics and their application to quantum information science and nanotechnology As the frontiers of science have advanced, the sort of curriculum adequate for students in the sciences and engineering twenty years ago is no longer satisfactory today There are many excellent quantum mechanics books available, but none have the emphasis on nanotechnology and quantum information science that this book has

Quantum Mechanics

Quantum Mechanics
Author : Nouredine Zettili
Publisher : John Wiley & Sons
Release Date : 2009-01-22
Category : Science
Total pages :688
GET BOOK

Quantum Mechanics: Concepts and Applications provides a clear, balanced and modern introduction to the subject. Written with the student’s background and ability in mind the book takes an innovative approach to quantum mechanics by combining the essential elements of the theory with the practical applications: it is therefore both a textbook and a problem solving book in one self-contained volume. Carefully structured, the book starts with the experimental basis of quantum mechanics and then discusses its mathematical tools. Subsequent chapters cover the formal foundations of the subject, the exact solutions of the Schrödinger equation for one and three dimensional potentials, time-independent and time-dependent approximation methods, and finally, the theory of scattering. The text is richly illustrated throughout with many worked examples and numerous problems with step-by-step solutions designed to help the reader master the machinery of quantum mechanics. The new edition has been completely updated and a solutions manual is available on request. Suitable for senior undergradutate courses and graduate courses.