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Solid State Quantum Chemistry

Solid State Quantum Chemistry PDF Author: Aleksandr Aronovich Levin
Publisher: McGraw-Hill Companies
ISBN:
Category : Chemical bonds
Languages : en
Pages : 249

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Book Description
Good,No Highlights,No Markup,all pages are intact, Slight Shelfwear,may have the corners slightly dented, may have slight color changes/slightly damaged spine.

Solid State Quantum Chemistry

Solid State Quantum Chemistry PDF Author: Aleksandr Aronovich Levin
Publisher: McGraw-Hill Companies
ISBN:
Category : Chemical bonds
Languages : en
Pages : 249

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Book Description
Good,No Highlights,No Markup,all pages are intact, Slight Shelfwear,may have the corners slightly dented, may have slight color changes/slightly damaged spine.

Quantum Chemistry: Molecular spectroscopy

Quantum Chemistry: Molecular spectroscopy PDF Author: Ira N. Levine
Publisher:
ISBN:
Category : Quantum chemistry
Languages : en
Pages :

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Introduction to Quantum Chemistry

Introduction to Quantum Chemistry PDF Author: Jay Martin Anderson
Publisher:
ISBN:
Category : Quantum chemistry
Languages : en
Pages : 445

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Computational Quantum Chemistry

Computational Quantum Chemistry PDF Author: Joseph J. W. McDouall
Publisher: Royal Society of Chemistry
ISBN: 1849736081
Category : Science
Languages : en
Pages : 278

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Book Description
Computational Quantum Chemistry presents computational electronic structure theory as practised in terms of ab initio waveform methods and density functional approaches. Getting a full grasp of the field can often prove difficult, since essential topics fall outside of the scope of conventional chemistry education. This professional reference book provides a comprehensive introduction to the field. Postgraduate students and experienced researchers alike will appreciate Joseph McDouall's engaging writing style. The book is divided into five chapters, each providing a major aspect of the field. Electronic structure methods, the computation of molecular properties, methods for analysing the output from computations and the importance of relativistic effects on molecular properties are also discussed. Links to the websites of widely used software packages are provided so that the reader can gain first hand experience of using the techniques described in the book. Dr McDouall has more than 25 years experience in theoretical chemistry; as a reader at the University of Manchester his research interests include the application of quantum chemical methods to the elucidation of chemical problems and the development and implementation of electronic structure methods that permit the accurate prediction of chemical structures and molecular properties.

Ideas of Quantum Chemistry

Ideas of Quantum Chemistry PDF Author: Lucjan Piela
Publisher: Elsevier
ISBN: 0444642471
Category : Science
Languages : en
Pages : 795

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Book Description
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

Introduction to Relativistic Quantum Chemistry

Introduction to Relativistic Quantum Chemistry PDF Author: Kenneth G. Dyall
Publisher: Oxford University Press
ISBN: 0190286377
Category : Science
Languages : en
Pages : 544

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Book Description
This book provides an introduction to the essentials of relativistic effects in quantum chemistry, and a reference work that collects all the major developments in this field. It is designed for the graduate student and the computational chemist with a good background in nonrelativistic theory. In addition to explaining the necessary theory in detail, at a level that the non-expert and the student should readily be able to follow, the book discusses the implementation of the theory and practicalities of its use in calculations. After a brief introduction to classical relativity and electromagnetism, the Dirac equation is presented, and its symmetry, atomic solutions, and interpretation are explored. Four-component molecular methods are then developed: self-consistent field theory and the use of basis sets, double-group and time-reversal symmetry, correlation methods, molecular properties, and an overview of relativistic density functional theory. The emphases in this section are on the basics of relativistic theory and how relativistic theory differs from nonrelativistic theory. Approximate methods are treated next, starting with spin separation in the Dirac equation, and proceeding to the Foldy-Wouthuysen, Douglas-Kroll, and related transformations, Breit-Pauli and direct perturbation theory, regular approximations, matrix approximations, and pseudopotential and model potential methods. For each of these approximations, one-electron operators and many-electron methods are developed, spin-free and spin-orbit operators are presented, and the calculation of electric and magnetic properties is discussed. The treatment of spin-orbit effects with correlation rounds off the presentation of approximate methods. The book concludes with a discussion of the qualitative changes in the picture of structure and bonding that arise from the inclusion of relativity.

Chemical Physics and Quantum Chemistry

Chemical Physics and Quantum Chemistry PDF Author:
Publisher: Academic Press
ISBN: 0128197587
Category : Science
Languages : en
Pages : 350

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Book Description
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field one that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. In this volume the readers are presented with an exciting combination of themes. Presents surveys of current topics in this rapidly-developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry and biology Features detailed reviews written by leading international researchers Topics include: New advances in Quantum Chemical Physics; Original theory and a contemporary overview of the field of Theoretical Chemical Physics; State-of-the-Art calculations in Theoretical Chemistry

Modern Quantum Chemistry

Modern Quantum Chemistry PDF Author: Attila Szabo
Publisher: Courier Corporation
ISBN: 0486134598
Category : Science
Languages : en
Pages : 480

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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.

Fundamentals of Quantum Chemistry

Fundamentals of Quantum Chemistry PDF Author: J. E. House
Publisher: Academic Press
ISBN: 0123567718
Category : Science
Languages : en
Pages : 291

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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).

Advances in Quantum Chemistry

Advances in Quantum Chemistry PDF Author:
Publisher: Academic Press
ISBN: 0123965446
Category : Science
Languages : en
Pages : 280

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Book Description
Advances in Quantum Chemistry presents surveys of current topics in this rapidly developing field that has emerged at the cross section of the historically established areas of mathematics, physics, chemistry, and biology. It features detailed reviews written by leading international researchers. This series provides a one-stop resource for following progress in this interdisciplinary area. Publishes articles, invited reviews and proceedings of major international conferences and workshops Written by leading international researchers in quantum and theoretical chemistry Highlights important interdisciplinary developments