Principles Of Quantum Chemistry Download Ebook PDF Epub Online

Author : David V. George
Publisher : Elsevier
Release : 2013-10-22
Page : 284
Category : Science
ISBN 13 : 1483278557
Description :


Principles of Quantum Chemistry focuses on the application of quantum mechanics in physical models and experiments of chemical systems. This book describes chemical bonding and its two specific problems — bonding in complexes and in conjugated organic molecules. The very basic theory of spectroscopy is also considered. Other topics include the early development of quantum theory; particle-in-a-box; general formulation of the theory of quantum mechanics; and treatment of angular momentum in quantum mechanics. The examples of solutions of Schroedinger equations; approximation methods in quantum chemistry; symmetry in chemistry; and molecular-orbital theory are also covered. This publication is recommended for students taking undergraduate and graduate courses in quantum chemistry.


Author : Paul Adrien Maurice Dirac
Publisher : Oxford University Press
Release : 1981
Page : 314
Category : Philosophy
ISBN 13 : 9780198520115
Description :


The first edition of this work appeared in 1930, and its originality won it immediate recognition as a classic of modern physical theory. The fourth edition has been bought out to meet a continued demand. Some improvements have been made, the main one being the complete rewriting of thechapter on quantum electrodymanics, to bring in electron-pair creation. This makes it suitable as an introduction to recent works on quantum field theories.


Author : Donald D. Fitts
Publisher : Cambridge University Press
Release : 1999-08-26
Page : 351
Category : Science
ISBN 13 : 9780521651240
Description :


Graduate-level text in quantum mechanics for chemists and chemical physicists.


Author : Wolfgang Pauli
Publisher : Springer
Release : 1980-10-01
Page : 212
Category : Science
ISBN 13 : 9783540098423
Description :


I am very happy to accept the translators' invitation to write a few lines of introduction to this book. Of course, there is little need to explain the author. Pauli's first famous work, his article on the theory of relativity in the Encyklopädie der Mathematischen Wissenschaften was written at the age of twenty. He afterwards took part in the development of atomic physics from the still essentially classical picture of Bohr's early work to the true quantum mechanics. Thereafter, some of his work concerned the treatment of problems in the framework of the new theory, especially his paper on the hydrogen atom following the matrix method without recourse to Schrodinger's analytic form of the theory. His greatest achievement, the exclusion principle, generally known today under his own name as the Pauli principle, that governs the quantum theory of all problems including more than one electron, preceded the basic work of Heisenberg and Schrodinger, and brought him the Nobel prize. It includes the mathematical treatment of the spin by means of the now so well known Pauli matrices. In 1929, in a paper with Heisenberg, he laid the foundation of quantum electrodynamics and, in doing so, to the whole theory of quantized wave fields which was to become the via regia of access to elementary particle physics, since here for the first time processes of generation and annihilation of particles could be described for the case of the photons.


Author : V.P. Gupta
Publisher : Academic Press
Release : 2015-10-15
Page : 478
Category : Science
ISBN 13 : 0128035013
Description :


Principles and Applications of Quantum Chemistry offers clear and simple coverage based on the author’s extensive teaching at advanced universities around the globe. Where needed, derivations are detailed in an easy-to-follow manner so that you will understand the physical and mathematical aspects of quantum chemistry and molecular electronic structure. Building on this foundation, this book then explores applications, using illustrative examples to demonstrate the use of quantum chemical tools in research problems. Each chapter also uses innovative problems and bibliographic references to guide you, and throughout the book chapters cover important advances in the field including: Density functional theory (DFT) and time-dependent DFT (TD-DFT), characterization of chemical reactions, prediction of molecular geometry, molecular electrostatic potential, and quantum theory of atoms in molecules. Simplified mathematical content and derivations for reader understanding Useful overview of advances in the field such as Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) Accessible level for students and researchers interested in the use of quantum chemistry tools


Author : Lucjan Piela
Publisher : Elsevier
Release : 2006-11-28
Page : 1120
Category : Science
ISBN 13 : 9780080466767
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


Author : R. Shankar
Publisher : Springer Science & Business Media
Release : 2012-12-06
Page : 676
Category : Science
ISBN 13 : 147570576X
Description :


R. Shankar has introduced major additions and updated key presentations in this second edition of Principles of Quantum Mechanics. New features of this innovative text include an entirely rewritten mathematical introduction, a discussion of Time-reversal invariance, and extensive coverage of a variety of path integrals and their applications. Additional highlights include: - Clear, accessible treatment of underlying mathematics - A review of Newtonian, Lagrangian, and Hamiltonian mechanics - Student understanding of quantum theory is enhanced by separate treatment of mathematical theorems and physical postulates - Unsurpassed coverage of path integrals and their relevance in contemporary physics The requisite text for advanced undergraduate- and graduate-level students, Principles of Quantum Mechanics, Second Edition is fully referenced and is supported by many exercises and solutions. The book’s self-contained chapters also make it suitable for independent study as well as for courses in applied disciplines.


Author : Ralph E. Christoffersen
Publisher : Springer Science & Business Media
Release : 2013-03-08
Page : 686
Category : Science
ISBN 13 : 1468463608
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.


Author : Kōstas Gavroglou
Ana Simões
Publisher : MIT Press
Release : 2012
Page : 351
Category : Science
ISBN 13 : 0262016184
Description :


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


Author : J. E. House
Publisher : Academic Press
Release : 2004
Page : 291
Category : Science
ISBN 13 : 9780123567710
Description :


This is a self-contained student-friendly introduction to the key concepts of quantum chemistry. The math is developed as needed and motivated by the concepts themselves. (Midwest).


Author : John P. Lowe
Publisher : Elsevier
Release : 2012-12-02
Page : 711
Category : Science
ISBN 13 : 0080515541
Description :


Praised for its appealing writing style and clear pedagogy, Lowe's Quantum Chemistry is now available in its Second Edition as a text for senior undergraduate- and graduate-level chemistry students. The book assumes little mathematical or physical sophistication and emphasizes an understanding of the techniques and results of quantum chemistry, thus enabling students to comprehend much of the current chemical literature in which quantum chemical methods or concepts are used as tools. The book begins with a six-chapter introduction of standard one-dimensional systems, the hydrogen atom, many-electron atoms, and principles of quantum mechanics. It then provides thorough treatments of variation and perturbation methods, group theory, ab initio theory, Huckel and extended Huckel methods, qualitative MO theory, and MO theory of periodic systems. Chapters are completed with exercises to facilitate self-study. Solutions to selected exercises are included. Assumes little mathematical or physical sophistication Emphasizes understanding of the techniques and results of quantum chemistry Includes improved coverage of time-dependent phenomena, term symbols, and molecular rotation and vibration Provides a new chapter on molecular orbital theory of periodic systems Features new exercise sets with solutions Includes a helpful new appendix that compiles angular momentum rules from operator algebra


Author : Werner Heisenberg
Publisher : Courier Corporation
Release : 2013-04-15
Page : 208
Category : Science
ISBN 13 : 0486318419
Description :


Nobel Laureate discusses quantum theory, uncertainty, wave mechanics, work of Dirac, Schroedinger, Compton, Einstein, others. "An authoritative statement of Heisenberg's views on this aspect of the quantum theory." — Nature.


Author : Walter Kauzmann
Publisher :
Release : 2013
Page : 744
Category :
ISBN 13 :
Description :



Author : Robert A. Evarestov
Publisher : Springer Science & Business Media
Release : 2007-08-16
Page : 560
Category : Science
ISBN 13 : 3540487484
Description :


This book delivers a comprehensive account of the main features and possibilities of LCAO methods for the first principles calculations of electronic structure of periodic systems. The first part describes the basic theory underlying the LCAO methods applied to periodic systems and the use of wave-function-based, density-based (DFT) and hybrid hamiltonians. The second part deals with the applications of LCAO methods for calculations of bulk crystal properties.


Author : P. A. M. Dirac
Publisher :
Release : 1966
Page :
Category :
ISBN 13 :
Description :



Author : S. M. Blinder
Publisher : Academic Press
Release : 2020-10-16
Page : 434
Category : Science
ISBN 13 : 0128223111
Description :


Introduction to Quantum Mechanics, Second Edition presents an accessible, fully-updated introduction on the principles of quantum mechanics. The book outlines the fundamental concepts of quantum theory, discusses how these arose from classic experiments in chemistry and physics, and presents the quantum-mechanical foundations of many key scientific techniques. Chapters cover an introduction to the key principles underpinning quantum mechanics, differing types of molecular structures, bonds and behaviors, and applications of quantum mechanical theory across a number of important fields, including new chapters on Density Functional Theory, Statistical Thermodynamics and Quantum Computing. Drawing on the extensive experience of its expert author, this book is a reliable introduction to the principles of quantum mechanics for anyone new to the field, and a useful refresher on fundamental knowledge and latest developments for anyone more experienced in the field. Presents a fully updated accounting that reflects the most recent developments in Quantum Theory and its applications Includes new chapters on Special Functions, Density Functional Theory, Statistical Thermodynamics and Quantum Computers Presents additional problems and exercises to further support learning


Author : Markus Reiher
Alexander Wolf
Publisher : John Wiley & Sons
Release : 2009-02-17
Page : 669
Category : Science
ISBN 13 : 3527312927
Description :


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.


Author : C. L. Tang
Publisher : Cambridge University Press
Release : 2005-06-23
Page : 208
Category : Science
ISBN 13 : 9780521829526
Description :


The basic concepts of quantum mechanics are explained in this book in a concise and easy-to-read manner, leading toward applications in solid-state electronics and optics. Following a logical sequence, the book focuses on key ideas and is conceptually and mathematically self-contained.


Author : vid V. George
Publisher :
Release : 1972
Page : 271
Category :
ISBN 13 :
Description :



Author : Paolo Carloni
Frank Alber
Publisher : John Wiley & Sons
Release : 2006-03-06
Page : 294
Category : Science
ISBN 13 : 3527605304
Description :


Computational methods are transforming the work of chemical and pharmaceutical laboratories. Increasingly faster and more exact simulation algorithms have made quantum chemistry a valuable tool in the search for active substances. Written by a team of leading international quantum chemists, this book is aimed at both beginners as well as experienced users of quantum chemical methods. All commonly used quantum chemical methods are treated here, including Density Functional Theory, quantum and molecular mechanical approaches. Numerous examples illustrate the use of these methods for dealing with problems in pharmaceutical practice, whether the study of inhibitor binding, identifying the surface load of active substances or deriving molecular descriptors using quantum chemical tools. For anyone striving to stay ahead in this rapidly evolving field.