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Author: Serafin Fraga
Publisher: Philadelphia ; Toronto : W.B. Saunders Company
ISBN:
Category : Electrons
Languages : en
Pages : 234
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Book Description
Author: Serafin Fraga
Publisher: Philadelphia ; Toronto : W.B. Saunders Company
ISBN:
Category : Electrons
Languages : en
Pages : 234
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Book Description
Author: Eugene S. Kryachko
Publisher: Springer Science & Business Media
ISBN: 9400919700
Category : Science
Languages : en
Pages : 862
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Book Description
Author: I. G. Kaplan
Publisher: Academic Press
ISBN: 1483191737
Category : Science
Languages : en
Pages : 385
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Book Description
Symmetry of Many-Electron Systems discusses the group-theoretical methods applied to physical and chemical problems. Group theory allows an individual to analyze qualitatively the elements of a certain system in scope. The text evaluates the characteristics of the Schrodinger equations. It is proved that some groups of continuous transformation from the Lie groups are useful in identifying conditions and in developing wavefunctions. A section of the book is devoted to the utilization of group-theoretical methods in quantal calculations on many-electron systems. The focus is on the use of group-theoretical methods to the classification and calculation of states of molecule. A chapter of the book gives a comprehensive discussion of the fractional parentage method. This application is used in atomic and nuclear spectroscopy. The method of employing coordinate wave functions is explained. The standard Young-Yamanouchi orthogonal representation is presented completely. The book will provide useful guides for physicists, chemists, engineers, students, and researchers in the field of physics.
Author:
Publisher:
ISBN:
Category : Nuclear energy
Languages : en
Pages : 1132
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Book Description
Author: Volker Bach
Publisher: Springer
ISBN: 3319063790
Category : Science
Languages : en
Pages : 410
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Book Description
This book provides a broad description of the development and (computational) application of many-electron approaches from a multidisciplinary perspective. In the context of studying many-electron systems Computer Science, Chemistry, Mathematics and Physics are all intimately interconnected. However, beyond a handful of communities working at the interface between these disciplines, there is still a marked separation of subjects. This book seeks to offer a common platform for possible exchanges between the various fields and to introduce the reader to perspectives for potential further developments across the disciplines. The rapid advances of modern technology will inevitably require substantial improvements in the approaches currently used, which will in turn make exchanges between disciplines indispensable. In essence this book is one of the very first attempts at an interdisciplinary approach to the many-electron problem.
Author: Timothy John Gould
Publisher:
ISBN:
Category : Approximation theory
Languages : en
Pages :
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Book Description
Ab initio prediction of the electronic properties of solids is traditionally performed using groundstate Density Functional Theory. These methods are unreliable however, for a class of important problems involving weak attractive forces. These problems include (i) the energetics of hydrogen storage and metal interactions in graphene, (ii) cohesion properties of some polymer systems and (iii) possibly, the weak hydrophobic forces in biomolecules. For these cases a more powerful method than groundstate DFT are timedependent DFT (tdDFT) methods related to the Random-Phase Approximation (RPA). All of these methods proceed by looking at the dynamic density-density response function, whose long-ranged properties naturally lead to the weak forces referred to above.
Author: Richard M. Martin
Publisher: Cambridge University Press
ISBN: 1316558568
Category : Science
Languages : en
Pages : 843
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Book Description
Recent progress in the theory and computation of electronic structure is bringing an unprecedented level of capability for research. Many-body methods are becoming essential tools vital for quantitative calculations and understanding materials phenomena in physics, chemistry, materials science and other fields. This book provides a unified exposition of the most-used tools: many-body perturbation theory, dynamical mean field theory and quantum Monte Carlo simulations. Each topic is introduced with a less technical overview for a broad readership, followed by in-depth descriptions and mathematical formulation. Practical guidelines, illustrations and exercises are chosen to enable readers to appreciate the complementary approaches, their relationships, and the advantages and disadvantages of each method. This book is designed for graduate students and researchers who want to use and understand these advanced computational tools, get a broad overview, and acquire a basis for participating in new developments.
Author: A.L. Efros
Publisher: Elsevier
ISBN: 044460099X
Category : Science
Languages : en
Pages : 703
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Book Description
``Electron-Electron Interactions in Disordered Systems'' deals with the interplay of disorder and the Coulomb interaction. Prominent experts give state-of-the-art reviews of the theoretical and experimental work in this field and make it clear that the interplay of the two effects is essential, especially in low-dimensional systems.
Author: Robert D. Cowan
Publisher: Univ of California Press
ISBN: 0520906152
Category : Science
Languages : en
Pages : 752
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Book Description
Both the interpretation of atomic spectra and the application of atomic spectroscopy to current problems in astrophysics, laser physics, and thermonuclear plasmas require a thorough knowledge of the Slater-Condon theory of atomic structure and spectra. This book gathers together aspects of the theory that are widely scattered in the literature and augments them to produce a coherent set of closed-form equations suitable both for computer calculations on cases of arbitrary complexity and for hand calculations for very simple cases.
Author: Henry Schaefer
Publisher: Springer Science & Business Media
ISBN: 1468485415
Category : Science
Languages : en
Pages : 470
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Book Description
These two volumes deal with the quantum theory of the electronic structure of ab initio is the notion that approximate solutions molecules. Implicit in the term of Schrodinger's equation are sought "from the beginning," i. e. , without recourse to experimental data. From a more pragmatic viewpoint, the distin guishing feature of ab initio theory is usually the fact that no approximations are involved in the evaluation of the required molecular integrals. Consistent with current activity in the field, the first of these two volumes contains chapters dealing with methods per se, while the second concerns the application of these methods to problems of chemical interest. In a sense, the motivation for these volumes has been the spectacular recent success of ab initio theory in resolving important chemical questions. However, these applications have only become possible through the less visible but equally important efforts of those developing new theoretical and computational methods and models. Henry F. Schaefer vii Contents Contents of Volume 3 xv Chapter 1. A Priori Geometry Predictions 1. A. Pople 1. Introduction . . . . . . . . . . . . . . . . . . . 1 2. Equilibrium Geometries by Hartree-Fock Theory 2 2. 1. Restricted and Unrestricted Hartree-Fock Theories 2 2. 2. Basis Sets for Hartree-Fock Studies . . . . . 4 2. 3. Hartree-Fock Structures for Small Molecules . 6 2. 4. Hartree-Fock Structures for Larger Molecules 12 3. Equilibrium Geometries with Correlation . . 18 4. Predictive Structures for Radicals and Cations 20 5. Conclusions 23 References 24 Chapter 2. Barriers to Rotation and Inversion Philip W. Payne and Leland C.
