An Introduction To The Electronic Structure Of Atoms And Molecules
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The Quantum Theory Of Atoms In Molecules
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Author : Chérif F. Matta
language : en
Publisher: John Wiley & Sons
Release Date : 2007-04-09
The Quantum Theory Of Atoms In Molecules written by Chérif F. Matta and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-04-09 with Science categories.
This book distills the knowledge gained from research into atoms in molecules over the last 10 years into a unique, handy reference. Throughout, the authors address a wide audience, such that this volume may equally be used as a textbook without compromising its research-oriented character. Clearly structured, the text begins with advances in theory before moving on to theoretical studies of chemical bonding and reactivity. There follow separate sections on solid state and surfaces as well as experimental electron densities, before finishing with applications in biological sciences and drug-design. The result is a must-have for physicochemists, chemists, physicists, spectroscopists and materials scientists.
Density Functional Theory Of Atoms And Molecules
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Author : Robert G. Parr
language : en
Publisher: Oxford University Press
Release Date : 1994-05-26
Density Functional Theory Of Atoms And Molecules written by Robert G. Parr and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 1994-05-26 with Science categories.
This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applications to atoms and molecules. Containing a detailed discussion of the chemical potential and its derivatives, it provides an understanding of the concepts of electronegativity, hardness and softness, and chemical reactivity. Both the Hohenberg-Kohn-Sham and the Levy-Lieb derivations of the basic theorems are presented, and extensive references to the literature are included. Two introductory chapters and several appendices provide all the background material necessary beyond a knowledge of elementary quantum theory. The book is intended for physicists, chemists, and advanced students in chemistry.
An Introduction To The Electronic Structure Of Atoms And Molecules
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Author : Richard F. W. Bader
language : en
Publisher:
Release Date : 1970
An Introduction To The Electronic Structure Of Atoms And Molecules written by Richard F. W. Bader and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1970 with Atoms categories.
For the beginning student of chemistry without the necessary mathematical background for a rigorous study of quantum mechanics.
Atoms And Molecules
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Author : R M Caven
language : en
Publisher: Hassell Street Press
Release Date : 2021-09-09
Atoms And Molecules written by R M Caven and has been published by Hassell Street Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-09-09 with categories.
This work has been selected by scholars as being culturally important and is part of the knowledge base of civilization as we know it. This work is in the public domain in the United States of America, and possibly other nations. Within the United States, you may freely copy and distribute this work, as no entity (individual or corporate) has a copyright on the body of the work. Scholars believe, and we concur, that this work is important enough to be preserved, reproduced, and made generally available to the public. To ensure a quality reading experience, this work has been proofread and republished using a format that seamlessly blends the original graphical elements with text in an easy-to-read typeface. We appreciate your support of the preservation process, and thank you for being an important part of keeping this knowledge alive and relevant.
Electron Correlation In Molecules
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Author : S. Wilson
language : en
Publisher: Courier Corporation
Release Date : 2014-07-01
Electron Correlation In Molecules written by S. Wilson and has been published by Courier Corporation this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014-07-01 with Science categories.
Electron correlation effects are of vital significance to the calculation of potential energy curves and surfaces, the study of molecular excitation processes, and in the theory of electron-molecule scattering. This text describes methods for addressing one of theoretical chemistry's central problems, the study of electron correlation effects in molecules. Although the energy associated with electron correlation is a small fraction of the total energy of an atom or molecule, it is of the same order of magnitude as most energies of chemical interest. If the solution of quantum mechanical equations from first principles is to provide an accurate quantitative prediction, reliable techniques for the theoretical determination of the effect of electron correlation on molecular properties are therefore important. To that end, this text explores molecular electronic structure, independent electron models, electron correlation, the linked diagram theorem, group theoretical aspects, the algebraic approximation, and truncation of expansions for expectation values.
Many Body Methods For Atoms Molecules And Clusters
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Author : Jochen Schirmer
language : en
Publisher: Springer
Release Date : 2018-11-02
Many Body Methods For Atoms Molecules And Clusters written by Jochen Schirmer and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2018-11-02 with Science categories.
This book provides an introduction to many-body methods for applications in quantum chemistry. These methods, originating in field-theory, offer an alternative to conventional quantum-chemical approaches to the treatment of the many-electron problem in molecules. Starting with a general introduction to the atomic and molecular many-electron problem, the book then develops a stringent formalism of field-theoretical many-body theory, culminating in the diagrammatic perturbation expansions of many-body Green's functions or propagators in terms of Feynman diagrams. It also introduces and analyzes practical computational methods, such as the field-tested algebraic-diagrammatic construction (ADC) schemes. The ADC concept can also be established via a wave-function based procedure, referred to as intermediate state representation (ISR), which bridges the gap between propagator and wave-function formulations. Based on the current rapid increase in computer power and the development of efficient computational methods, quantum chemistry has emerged as a potent theoretical tool for treating ever-larger molecules and problems of chemical and physical interest. Offering an introduction to many-body methods, this book appeals to advanced students interested in an alternative approach to the many-electron problem in molecules, and is suitable for any courses dealing with computational methods in quantum chemistry.
Electronic Structure Of Atoms Molecules And Solids Proceedings Of 2nd Brazilian School
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Author : S Canuto
language : en
Publisher: World Scientific
Release Date : 1990-05-01
Electronic Structure Of Atoms Molecules And Solids Proceedings Of 2nd Brazilian School written by S Canuto and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1990-05-01 with categories.
This book focuses on spearheading the integration of maintainability and green facility management right from the design stage. The text introduces the concept of green maintainability, and discusses considerations to maximize the performance by achieving resource and energy efficiency, while minimizing the total life cycle cost in embodied energy; environmental impact and consumption of matter/energy throughout the life cycle of a facility, by 'doing it right the first time'.In this edition, existing chapters have been brought up to date, to include contemporary sustainability concerns, such as: sustainability design, construction and materials, and maintainability of green features.Maintainability of Facilities is written for practitioners and students in architecture, engineering, building, real estate, construction, project management, facilities management, quantity and building surveying.
Molecular Electronics
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Author : Juan Carlos Cuevas
language : en
Publisher: World Scientific
Release Date : 2010
Molecular Electronics written by Juan Carlos Cuevas and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010 with Science categories.
This book provides a comprehensive overview of the rapidly developing field of molecular electronics. It focuses on our present understanding of the electrical conduction in single-molecule circuits and provides a thorough introduction to the experimental techniques and theoretical concepts. It will also constitute as the first textbook-like introduction to both the experiment and theory of electronic transport through single atoms and molecules. In this sense, this publication will prove invaluable to both researchers and students interested in the field of nanoelectronics and nanoscience in general. Molecular Electronics is self-contained and unified in its presentation. It may be used as a textbook on nanoelectronics by graduate students and advanced undergraduates studying physics and chemistry. In addition, included are previously unpublished material that will help researchers gain a deeper understanding into the basic concepts involved in the field of molecular electronics.
Modern Electronic Structure Theory
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Author : D. R. Yarkony
language : en
Publisher: World Scientific
Release Date : 1995
Modern Electronic Structure Theory written by D. R. Yarkony and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 1995 with Science categories.
Modern Electronic Structure Theory provides a didactically oriented description of the latest computational techniques in electronic structure theory and their impact in several areas of chemistry. The book is aimed at first year graduate students or college seniors considering graduate study in computational chemistry, or researchers who wish to acquire a wider knowledge of this field.
Molecular Electronics An Introduction To Theory And Experiment 2nd Edition
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Author : Elke Scheer
language : en
Publisher: World Scientific
Release Date : 2017-05-19
Molecular Electronics An Introduction To Theory And Experiment 2nd Edition written by Elke Scheer and has been published by World Scientific this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-05-19 with Technology & Engineering categories.
Molecular Electronics is self-contained and unified in its presentation. It can be used as a textbook on nanoelectronics by graduate students and advanced undergraduates studying physics and chemistry. In addition, included in this new edition are previously unpublished material that will help researchers gain a deeper understanding into the basic concepts involved in the field of molecular electronics.