Principles and Applications of Quantum Chemistry Book

Principles and Applications of Quantum Chemistry


  • Author : V.P. Gupta
  • Publisher : Academic Press
  • Release Date : 2015-10-15
  • Genre: Science
  • Pages : 478
  • ISBN 10 : 9780128035016

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Principles and Applications of Quantum Chemistry Excerpt :

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

Introduction to Quantum Mechanics with Applications to Chemistry Book
Score: 4.5
From 2 Ratings

Introduction to Quantum Mechanics with Applications to Chemistry


  • Author : Linus Pauling
  • Publisher : Courier Corporation
  • Release Date : 2012-06-08
  • Genre: Science
  • Pages : 496
  • ISBN 10 : 9780486134932

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Introduction to Quantum Mechanics with Applications to Chemistry Excerpt :

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.

Computational Chemistry and Molecular Modeling Book

Computational Chemistry and Molecular Modeling


  • Author : K. I. Ramachandran
  • Publisher : Springer Science & Business Media
  • Release Date : 2008-05-20
  • Genre: Science
  • Pages : 398
  • ISBN 10 : 9783540773047

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Computational Chemistry and Molecular Modeling Excerpt :

The gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.

The Principles of Quantum Mechanics Book
Score: 5
From 2 Ratings

The Principles of Quantum Mechanics


  • Author : P. A. M. Dirac
  • Publisher : Lulu Press, Inc
  • Release Date : 2019-12-01
  • Genre: Reference
  • Pages : 304
  • ISBN 10 : 9781794767119

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The Principles of Quantum Mechanics Excerpt :

"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

Introduction to Quantum Mechanics Book

Introduction to Quantum Mechanics


  • Author : S. M. Blinder
  • Publisher : Academic Press
  • Release Date : 2020-10-16
  • Genre: Science
  • Pages : 434
  • ISBN 10 : 9780128223116

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Introduction to Quantum Mechanics Excerpt :

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

Quantum Physics for Scientists and Technologists Book

Quantum Physics for Scientists and Technologists


  • Author : Paul Sanghera
  • Publisher : John Wiley & Sons
  • Release Date : 2011-04-12
  • Genre: Computers
  • Pages : 544
  • ISBN 10 : 9780470294529

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Quantum Physics for Scientists and Technologists Excerpt :

Quantum Physics for Scientists and Technologists is a self-contained, comprehensive review of this complex branch of science. The book demystifies difficult concepts and views the subject through non-physics fields such as computer science, biology, chemistry, and nanotechnology. It explains key concepts and phenomena in the language of non-physics majors and with simple math, assuming no prior knowledge of the topic. This cohesive book begins with the wavefunction to develop the basic principles of quantum mechanics such as the uncertainty principle and wave-particle duality. Comprehensive coverage of quantum theory is presented, supported by experimental results and explained through applications and examples without the use of abstract and complex mathematical tools or formalisms. From there, the book: Takes the mystery out of the Schrodinger equation, the fundamental equation of quantum physics, by applying it to atoms Shows how quantum mechanics explains the periodic table of elements Introduces the quantum mechanical concept of spin and spin quantum number, along with Pauli's Exclusion Principle regarding the occupation of quantum states Addresses quantum states of molecules in terms of rotation and vibration of diatomic molecules Explores the interface between classical statistical mechanics and quantum statistical mechanics Discusses quantum mechanics as a common thread through different fields of nanoscience and nanotechnology Each chapter features real-world applications of one or more quantum mechanics principles. "Study Checkpoints" and problems with solutions are presented throughout to make difficult concepts easy to understand. In addition, pictures, tables, and diagrams with full explanations are used to present data and further explain difficult concepts. This book is designed as a complete course in quantum mechanics for senior undergraduates and first-year graduate students in non-physics majors. It also applies to courses such as modern physics,

Some Applications of Quantum Mechanics Book

Some Applications of Quantum Mechanics


  • Author : Mohammad Reza Pahlavani
  • Publisher : BoD – Books on Demand
  • Release Date : 2012-02-22
  • Genre: Science
  • Pages : 440
  • ISBN 10 : 9789535100591

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Some Applications of Quantum Mechanics Excerpt :

Quantum mechanics, shortly after invention, obtained applications in different area of human knowledge. Perhaps, the most attractive feature of quantum mechanics is its applications in such diverse area as, astrophysics, nuclear physics, atomic and molecular spectroscopy, solid state physics and nanotechnology, crystallography, chemistry, biotechnology, information theory, electronic engineering... This book is the result of an international attempt written by invited authors from over the world to response daily growing needs in this area. We do not believe that this book can cover all area of application of quantum mechanics but wish to be a good reference for graduate students and researchers.

Principles of Quantum Mechanics Book

Principles of Quantum Mechanics


  • Author : R. Shankar
  • Publisher : Springer Science & Business Media
  • Release Date : 2012-12-06
  • Genre: Science
  • Pages : 676
  • ISBN 10 : 9781475705768

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Principles of Quantum Mechanics Excerpt :

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.

Strategies and Applications in Quantum Chemistry Book

Strategies and Applications in Quantum Chemistry


  • Author : Y. Ellinger
  • Publisher : Springer Science & Business Media
  • Release Date : 2006-04-11
  • Genre: Science
  • Pages : 463
  • ISBN 10 : 9780306469305

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Strategies and Applications in Quantum Chemistry Excerpt :

At the time when increasing numbers of chemists are being attracted by the fascination of supposedly easy computing and associated colourful imaging, this book appears as a counterpoint. The first part focuses on fundamental concepts of quantum chemistry, covering MCSCF theory, perturbation treatments, basis set developments, density matrices, wave function instabilities to correlation effects, and momentum space theory. The second part is devoted to more practical studies, ranging from the characterisation of exotic interstellar molecules, the accurate determination of spectroscopic constants, excited states structures and EPR parameters through photochemical and charge-transfer processes, cluster chemistry and fullerenes, muonium chemistry, to the possible prediction of the response of materials to electric fields in view of nonlinear optical applications. Audience: Graduate students and researchers whose work involves quantum chemistry, molecular physics, and materials modelling.

Essentials of Computational Chemistry Book
Score: 5
From 2 Ratings

Essentials of Computational Chemistry


  • Author : Christopher J. Cramer
  • Publisher : John Wiley & Sons
  • Release Date : 2013-04-29
  • Genre: Science
  • Pages : 624
  • ISBN 10 : 9781118712276

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Essentials of Computational Chemistry Excerpt :

Essentials of Computational Chemistry provides a balanced introduction to this dynamic subject. Suitable for both experimentalists and theorists, a wide range of samples and applications are included drawn from all key areas. The book carefully leads the reader thorough the necessary equations providing information explanations and reasoning where necessary and firmly placing each equation in context.

Quantum Chemistry Workbook Book

Quantum Chemistry Workbook


  • Author : Jean-Louis Calais
  • Publisher : Wiley-Interscience
  • Release Date : 1994-10-24
  • Genre: Science
  • Pages : 216
  • ISBN 10 : 0471594350

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Quantum Chemistry Workbook Excerpt :

A comprehensive, practical examination of the basic principles and inner mechanics of matter . . . Moving from pure principles to real applications, the Quantum Chemistry Workbook is a step-by-step study guide to the inner workings of nature's fundamental systems: free atoms, small molecules, polymers, and crystals. Beginning with a short, clear summary of the basics of quantum mechanics, the Workbook offers a chapter-by-chapter exposition in a highly interactive exercise and question format that allows readers to work through the main concepts discussed. Not simply a conventional workbook, the Quantum Chemistry Workbook encourages discovery and original reflection, allowing users, through its rigorous give and take, to discover the intriguing connections hidden within the science. The Workbook includes: * A comparative overview of how basic concepts and principles actually work in free atoms, small molecules, polymers, and crystals * A practical look at the approximation level of a one-electron type * A complete examination of momentum space, with numerous conceptual illustrations * Atomic units used throughout An essential companion to any textbook on chemistry and physics, the Quantum Chemistry Workbook is ideal for professors interested in giving students a firm grasp of the working basics of the science. For students and professionals interested in pursuing the fundamentals of quantum chemistry on their own, the Workbook is an incomparable introduction and study tool.

The Application of Quantum Mechanics in Reactivity of Molecules Book

The Application of Quantum Mechanics in Reactivity of Molecules


  • Author : Sérgio F. Sousa
  • Publisher : MDPI
  • Release Date : 2021-03-19
  • Genre: Science
  • Pages : 182
  • ISBN 10 : 9783036506586

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The Application of Quantum Mechanics in Reactivity of Molecules Excerpt :

Over recent decades, the increase in computational resources, coupled with the popularity of competitive quantum mechanics alternatives (particularly DFT), has promoted the widespread penetration of quantum mechanics calculations into a variety of fields targeting the reactivity of molecules. This book presents a selection of original research papers and review articles illustrating diverse applications of quantum mechanics in the study of problems involving molecules and their reactivity.

Principles and Applications of Quantum Chemistry Book

Principles and Applications of Quantum Chemistry


  • Author : V. P. Gupta
  • Publisher : Academic Press
  • Release Date : 2015-10-22
  • Genre: Uncategoriezed
  • Pages : 478
  • ISBN 10 : 0128034785

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Principles and Applications of Quantum Chemistry Excerpt :

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

Quantum Chemistry Book

Quantum Chemistry


  • Author : Tamás Veszprémi
  • Publisher : Springer Science & Business Media
  • Release Date : 2012-12-06
  • Genre: Science
  • Pages : 383
  • ISBN 10 : 9781461541899

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Quantum Chemistry Excerpt :

`Quantum Chemistry [the branch of Computational Chemistry that applies the laws of Quantum Mechanics to chemical systems] is one of the most dynamic fields of contemporary chemistry, providing a solid foundation for all of chemistry, and serving as the basis for practical, computational methodologies with applications in virtually all branches of chemistry ... The increased sophistication, accuracy and scope of the theory of chemistry are due to a large extent to the spectacular development of quantum chemistry, and in this book the authors have made a remarkable effort to provide a modern account of the field.' From the Foreword by Paul Mezey, University of Saskatchewan. Quantum Chemistry: Fundamentals to Applications develops quantum chemistry all the way from the fundamentals, found in Part I, through the applications that make up Part II. The applications include: molecular structure; spectroscopy; thermodynamics; chemical reactions; solvent effects; and excited state chemistry. The importance of this field is underscored by the fact that the 1998 Nobel Prize in Chemistry was awarded for the development of Quantum Chemistry.

Quantum Mechanics for Scientists and Engineers Book
Score: 3
From 3 Ratings

Quantum Mechanics for Scientists and Engineers


  • Author : David A. B. Miller
  • Publisher : Cambridge University Press
  • Release Date : 2008-04-21
  • Genre: Technology & Engineering
  • Pages : 574
  • ISBN 10 : 9781139471275

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Quantum Mechanics for Scientists and Engineers Excerpt :

If you need a book that relates the core principles of quantum mechanics to modern applications in engineering, physics, and nanotechnology, this is it. Students will appreciate the book's applied emphasis, which illustrates theoretical concepts with examples of nanostructured materials, optics, and semiconductor devices. The many worked examples and more than 160 homework problems help students to problem solve and to practise applications of theory. Without assuming a prior knowledge of high-level physics or classical mechanics, the text introduces Schrödinger's equation, operators, and approximation methods. Systems, including the hydrogen atom and crystalline materials, are analyzed in detail. More advanced subjects, such as density matrices, quantum optics, and quantum information, are also covered. Practical applications and algorithms for the computational analysis of simple structures make this an ideal introduction to quantum mechanics for students of engineering, physics, nanotechnology, and other disciplines. Additional resources available from www.cambridge.org/9780521897839.