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Ideas Of Quantum Chemistry

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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

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry Book
Author : Lucjan Piela
Publisher : Elsevier Science Limited
Release : 2007
ISBN : 0987650XXX
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

Modern Quantum Chemistry

Modern Quantum Chemistry Book
Author : Attila Szabo,Neil S. Ostlund
Publisher : Courier Corporation
Release : 2012-06-08
ISBN : 0486134598
Language : En, Es, Fr & De

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Book Description :

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 Book
Author : Ajit J Thakkar
Publisher : Morgan & Claypool Publishers
Release : 2014-06-01
ISBN : 1627057013
Language : En, Es, Fr & De

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Book Description :

This book is designed to help the non-specialist user of spectroscopic measurements and electronic structure computations to achieve a basic understanding of the underlying concepts of quantum chemistry. The book can be used to teach introductory quantum c

The Picture Book of Quantum Mechanics

The Picture Book of Quantum Mechanics Book
Author : Siegmund Brandt,Hans D. Dahmen
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 1468402331
Language : En, Es, Fr & De

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Book Description :

In learning quantum theory, intuitions developed for the classical world fail, and the equations to be solved are sufficiently complex that they require a computer except for the simplest situations. This book represents an attempt to jump the hurdle to an intuitive understanding of wave mechanics by using illustrations to present the time evolution and parameter dependence of wave functions in a wide variety of situations. Most of the illustrations are computer-generated solutions of the Schrödinger equation for one- and three-dimensional systems, with the situations discussed ranging from the simple particle in a box through resonant scattering in one dimension to the hydrogen atom and Regge classification of resonant scattering. Thoroughly revised and expanded to include a discussion of spin and magnetic resonance.

Introduction to Quantum Mechanics with Applications to Chemistry

Introduction to Quantum Mechanics with Applications to Chemistry Book
Author : Linus Pauling,E. Bright Wilson
Publisher : Courier Corporation
Release : 2012-06-08
ISBN : 0486134938
Language : En, Es, Fr & De

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Book Description :

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.

Experimental Quantum chemistry

Experimental Quantum chemistry Book
Author : Peter Hedvig
Publisher : Elsevier
Release : 2012-12-02
ISBN : 0323146805
Language : En, Es, Fr & De

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Book Description :

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.

Handbook of Computational Quantum Chemistry

Handbook of Computational Quantum Chemistry Book
Author : David B. Cook
Publisher : Courier Corporation
Release : 2005-08-02
ISBN : 0486443078
Language : En, Es, Fr & De

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Book Description :

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.

Principles and Applications of Quantum Chemistry

Principles and Applications of Quantum Chemistry Book
Author : V.P. Gupta
Publisher : Academic Press
Release : 2015-10-15
ISBN : 0128035013
Language : En, Es, Fr & De

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Book 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

Quantum Mechanics for Scientists and Engineers

Quantum Mechanics for Scientists and Engineers Book
Author : David A. B. Miller
Publisher : Cambridge University Press
Release : 2008-04-21
ISBN : 1139471279
Language : En, Es, Fr & De

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Book Description :

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.

Advanced Undergraduate Quantum Mechanics

Advanced Undergraduate Quantum Mechanics Book
Author : Lev I. Deych
Publisher : Springer
Release : 2018-04-05
ISBN : 331971550X
Language : En, Es, Fr & De

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Book Description :

This introduction to quantum mechanics is intended for undergraduate students of physics, chemistry, and engineering with some previous exposure to quantum ideas. Following in Heisenberg’s and Dirac’s footsteps, this book is centered on the concept of the quantum state as an embodiment of all experimentally available information about a system, and its representation as a vector in an abstract Hilbert space. This conceptual framework and formalism are introduced immediately, and developed throughout the first four chapters, while the standard Schrödinger equation does not appear until Chapter 5. The book grew out of lecture notes developed by the author over fifteen years of teaching at the undergraduate level. In response to numerous requests by students, material is presented with an unprecedented level of detail in both derivation of technical results and discussion of their physical significance. The book is written for students to enjoy reading it, rather than to use only as a source of formulas and examples. The colloquial and personal writing style makes it easier for readers to connect with the material. Additionally, readers will find short, relatable snippets about the “founding fathers” of quantum theory, their difficult historical circumstances, personal failings and triumphs, and often tragic fate. This textbook, complete with extensive original end-of-chapter exercises, is recommended for use in one- or two-semester courses for upper level undergraduate and beginning graduate students in physics, chemistry, or engineering.

Fundamentals of Quantum Chemistry

Fundamentals of Quantum Chemistry Book
Author : J. E. House
Publisher : Academic Press
Release : 2004
ISBN : 0123567718
Language : En, Es, Fr & De

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Book 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).

Quantum Chemistry of Atoms and Molecules

Quantum Chemistry of Atoms and Molecules Book
Author : Philip S. C. Matthews
Publisher : CUP Archive
Release : 1986-12-11
ISBN : 9780521270250
Language : En, Es, Fr & De

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Book Description :

This 1986 book emphasises the fundamental ideas of quantum theory as they relate to its mainstream areas such as bonding and spectroscopy; elementary ideas on the use of symmetry are also included. No prior knowledge of quantum theory is assumed, and help is given in understanding the mathematics that is involved.

An Introductory Path to Quantum Theory

An Introductory Path to Quantum Theory Book
Author : Stephen Bruce Sontz
Publisher : Springer Nature
Release : 2020-03-16
ISBN : 3030407675
Language : En, Es, Fr & De

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Book Description :

Since the 17th century, physical theories have been expressed in the language of mathematical equations. This introduction to quantum theory uses that language to enable the reader to comprehend the notoriously non-intuitive ideas of quantum physics. The mathematical knowledge needed for using this book comes from standard undergraduate mathematics courses and is described in detail in the section Prerequisites. This text is especially aimed at advanced undergraduate and graduate students of mathematics, computer science, engineering and chemistry among other disciplines, provided they have the math background even though lacking preparation in physics. In fact, no previous formal study of physics is assumed.

Essentials of Computational Chemistry

Essentials of Computational Chemistry Book
Author : Christopher J. Cramer
Publisher : John Wiley & Sons
Release : 2013-04-29
ISBN : 1118712277
Language : En, Es, Fr & De

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Book Description :

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

Quantum Chemistry Book
Author : Donald A Mcquarrie
Publisher : Unknown
Release : 2007-01-01
ISBN : 9788176494236
Language : En, Es, Fr & De

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Book Description :

Download Quantum Chemistry book written by Donald A Mcquarrie, available in PDF, EPUB, and Kindle, or read full book online anywhere and anytime. Compatible with any devices.

Relativistic Quantum Chemistry

Relativistic Quantum Chemistry Book
Author : Markus Reiher,Alexander Wolf
Publisher : John Wiley & Sons
Release : 2009-02-17
ISBN : 3527312927
Language : En, Es, Fr & De

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Book 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.

Reviews of Modern Quantum Chemistry

Reviews of Modern Quantum Chemistry Book
Author : Kali Das Sen
Publisher : World Scientific
Release : 2002
ISBN : 9812775706
Language : En, Es, Fr & De

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Book Description :

This important book collects together stateOCoofOCotheOCoart reviews of diverse topics covering almost all the major areas of modern quantum chemistry. The current focus in the discipline of chemistry OCo synthesis, structure, reactivity and dynamics OCo is mainly on control . A variety of essential computational tools at the disposal of chemists have emerged from recent studies in quantum chemistry. The acceptance and application of these tools in the interfacial disciplines of the life and physical sciences continue to grow. The new era of modern quantum chemistry throws up promising potentialities for further research. Reviews of Modern Quantum Chemistry is a joint endeavor, in which renowned scientists from leading universities and research laboratories spanning 22 countries present 59 inOCodepth reviews. Along with a personal introduction written by Professor Walter Kohn, Nobel laureate (Chemistry, 1998), the articles celebrate the scientific contributions of Professor Robert G Parr on the occasion of his 80th birthday. List of Contributors: W Kohn, M Levy, R Pariser, B R Judd, E Lo, B N Plakhutin, A Savin, P Politzer, P Lane, J S Murray, A J Thakkar, S R Gadre, R F Nalewajski, K Jug, M Randic, G Del Re, U Kaldor, E Eliav, A Landau, M Ehara, M Ishida, K Toyota, H Nakatsuji, G Maroulis, A M Mebel, S Mahapatra, R CarbOCoDorca, u Nagy, I A Howard, N H March, SOCoB Liu, R G Pearson, N Watanabe, S TenOCono, S Iwata, Y Udagawa, E Valderrama, X Fradera, I Silanes, J M Ugalde, R J Boyd, E V Ludea, V V Karasiev, L Massa, T Tsuneda, K Hirao, J-M Tao, J P Perdew, O V Gritsenko, M Grning, E J Baerends, F Aparicio, J Garza, A Cedillo, M Galvin, R Vargas, E Engel, A HAck, R N Schmid, R M Dreizler, J Poater, M Sola, M Duran, J Robles, X Fradera, P K Chattaraj, A Poddar, B Maiti, A Cedillo, S Guti(r)rrezOCoOliva, P Jaque, A ToroOCoLabb(r), H Chermette, P Boulet, S Portmann, P Fuentealba, R Contreras, P Geerlings, F De Proft, R Balawender, D P Chong, A Vela, G Merino, F Kootstra, P L de Boeij, R van Leeuwen, J G Snijders, N T Maitra, K Burke, H Appel, E K U Gross, M K Harbola, H F Hameka, C A Daul, I Ciofini, A Bencini, S K Ghosh, A Tachibana, J M CabreraOCoTrujillo, F Tenorio, O Mayorga, M Cases, V Kumar, Y Kawazoe, A M KAster, P Calaminici, Z Gmez, U Reveles, J A Alonso, L M Molina, M J Lpez, F Dugue, A Maanes, C A Fahlstrom, J A Nichols, D A Dixon, P A Derosa, A G Zacarias, J M Seminario, D G Kanhere, A Vichare, S A Blundell, ZOCoY Lu, HOCoY Liu, M Elstner, WOCoT Yang, J Muoz, X Fradera, M Orozco, F J Luque, P Tarakeshwar, H M Lee, K S Kim, M Valiev, E J Bylaska, A Gramada, J H Weare, J Brickmann, M Keil, T E Exner, M Hoffmann & J Rychlewski. Contents: Volume I: Applications of the Automorphisms of SO(8) to the Atomic f Shell (B R Judd & E Lo); Probability Distributions and Valence Shells in Atoms (A Savin); Information Theoretical Approaches to Quantum Chemistry (S R Gadre); Quantum Chemical Justification for Clar''s Valence Structures (M Randic); Functional Expansion Approach in Density Functional Theory (S-B Liu); Normconserving Pseudopotentials for the Exact Exchange Functional (E Engel et al.); Volume II: Chemical Reactivity and Dynamics within a Density-based Quantum Mechanical Framework (P K Chattaraj et al.); Fukui Functions and Local Softness (H Chermette et al.); The Nuclear Fukui Function (P Geerlings et al.); Causality in Time-Dependent Density-Functional Theory (M K Harbola); Theoretical Studies of Molecular Magnetism (H F Hameka); Melting in Finite-Sized Systems (D G Kanhere et al.); Density Functional Theory (DFT) and Drug Design (M Hoffmann & J Rychlewski); and other papers. Readership: Researchers and academics in computational, physical, fullerene, industrial, polymer, solid state and theoretical/quantum chemistry; nanoscience, superconductivity & magnetic materials, surface science; atomic, computational and condensed matter physics; and thermodynamics."

Bridge Engineering Handbook Five Volume Set Second Edition

Bridge Engineering Handbook  Five Volume Set  Second Edition Book
Author : Wai-Fah Chen,Lian Duan
Publisher : CRC Press
Release : 2014-01-24
ISBN : 1482263459
Language : En, Es, Fr & De

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Book Description :

Over 140 experts, 14 countries, and 89 chapters are represented in the second edition of the Bridge Engineering Handbook. This extensive collection provides detailed information on bridge engineering, and thoroughly explains the concepts and practical applications surrounding the subject, and also highlights bridges from around the world. Published in five books: Fundamentals, Superstructure Design, Substructure Design, Seismic Design, and Construction and Maintenance, this new edition provides numerous worked-out examples that give readers step-by-step design procedures, includes contributions by leading experts from around the world in their respective areas of bridge engineering, contains 26 completely new chapters, and updates most other chapters. It offers design concepts, specifications, and practice, and presents various types of bridges. The text includes over 2,500 tables, charts, illustrations, and photos. The book covers new, innovative and traditional methods and practices; explores rehabilitation, retrofit, and maintenance; and examines seismic design and building materials. This text is an ideal reference for practicing bridge engineers and consultants (design, construction, maintenance), and can also be used as a reference for students in bridge engineering courses.

Topics in Quantum Mechanics

Topics in Quantum Mechanics Book
Author : Floyd Williams
Publisher : Springer Science & Business Media
Release : 2012-12-06
ISBN : 1461200091
Language : En, Es, Fr & De

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Book Description :

This self-contained text presents quantum mechanics from the point of view of some computational examples with a mixture of mathematical clarity often not found in texts offering only a purely physical point of view. Emphasis is placed on the systematic application of the Nikiforov-- Uvarov theory of generalized hypergeometric differential equations to solve the Schr"dinger equation and to obtain the quantization of energies from a single unified point of view.