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Author : F HERMAN (ED.)
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (25 download)
Download or read book Computational Methods for Large Molecules and Localized States in Solids written by F HERMAN (ED.) and published by . This book was released on 1973 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : F. Herman
Publisher : Springer Science & Business Media
ISBN 13 : 1468420135
Total Pages : 387 pages
Book Rating : 4.4/5 (684 download)
Download or read book Computational Methods for Large Molecules and Localized States in Solids written by F. Herman and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 387 pages. Available in PDF, EPUB and Kindle. Book excerpt: During the past few years, there has been dramatic progress in theoretical and computational studies of large molecules and local ized states in solids. Various semi-empirical and first-principles methods well known in quantum chemistry have been applied with considerable success to ever larger and more complex molecules, including some of biological importance, as well as to selected solid state problems involving localized electronic states. In creasingly, solid state physicists are adopting a molecular point of view in attempting to understand the nature of electronic states associated with (a) isolated structural and chemical defects in solids; (b) surfaces and interfaces; and (c) bulk disordered solids, most notably amorphous semiconductors. Moreover, many concepts and methods already widely used in solid state physics are being adapted to molecular problems. These adaptations include pseudopotentials, statistical exchange approxi mations, muffin-tin model potentials, and multiple scattering and cellular methods. In addition, many new approaches are being de vised to deal with progressively more complex molecular and local ized electronic state problems.
Author :
Publisher :
ISBN 13 :
Total Pages : 0 pages
Book Rating : 4.:/5 (141 download)
Download or read book Computational Methods for Large Molecules and Localized States in Solids written by and published by . This book was released on 1973 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author :
Publisher : Academic Press
ISBN 13 : 9780080864990
Total Pages : 403 pages
Book Rating : 4.8/5 (649 download)
Download or read book Solid State Physics written by and published by Academic Press. This book was released on 1980-09-01 with total page 403 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid State Physics
Author : N. Hannay
Publisher : Springer Science & Business Media
ISBN 13 : 1468426613
Total Pages : 550 pages
Book Rating : 4.4/5 (684 download)
Download or read book The Chemical Structure of Solids written by N. Hannay and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 550 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Joachim Bargon
Publisher : Springer Science & Business Media
ISBN 13 : 1468437283
Total Pages : 337 pages
Book Rating : 4.4/5 (684 download)
Download or read book Computational Methods in Chemistry written by Joachim Bargon and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 337 pages. Available in PDF, EPUB and Kindle. Book excerpt: The papers collected in this volume were presented at an international symposium on Computational Methods in Chemistry. This symposium was sponsored by IBM Germany and was held September 17-19, 1979, in Bad Neuenahr, West Germany. According to Graham Richards [Nature 278, 507 (1979)] the "Third Age of Quantum Chemistry" has started-;-where the results of quantum chemical calculations have become so accurate and reliable that they can guide the experimentalists in their search for the unknown. The particular example highlighted by Richards was the suc cessful prediction and subsequent identification of the relative energies, transition probabilities and geometries of the lowest triplet states of acetylene. The theoretical predictions were based chiefly upon the work of three groups: Kammer [Chern. Phys. Lett. ~, 529 (1970)] had made qualitatively correct predictions; Demoulin [Chern. Phys. 11, 329 (1975)] had calculated the potential energy curves for the two lowest triplet states (3 and 3 ) of B A acetylene; and Wetmore and Schaefer III [J. Chern. Phys. ~~ 1648 (1978)] had determined the geometries of the cis (3B and ~A ) and the trans (3B and 3A ) isomers of these two sta~es. Inua 2 2 guided search, Wendt, Hunziker and Hippler [J. Chern. PHys. 70, 4044 (1979)] succeeded in finding the predicted near infrared absorption of the cis triplet acetylene (no corresponding absorp tion for the trans form was found, which is in agreement with theory), and the resolved structure of the spectrum confirmed the predicted geometries conclusively.
Author : Myron W Evans
Publisher : World Scientific
ISBN 13 : 9814499188
Total Pages : 255 pages
Book Rating : 4.8/5 (144 download)
Download or read book Computational Methods In Quantum Chemistry, Volume 2: Quantum Chemistry written by Myron W Evans and published by World Scientific. This book was released on 1996-07-04 with total page 255 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a comprehensive account, from first principles, of the methods of numerical quantum mechanics, beginning with formulations and fundamental postulates. The development continues with that of the Hamiltonian and angular momentum operators, and with methods of approximating the solutions of the Schroedinger equation with variational and perturbation methods.Chapter 3 is a description of the Hartree-Fock self-consistent field method, which is developed systematically for atoms. The Born-Oppenheimer approximation is introduced, and the numerical methods presented one by one thereafter in a logically consistent way that should be accessible to undergraduates. These include LCAO, Hartree-Fock-SCF method for molecules, Roothaan LCAO-MO-SCF method, and electron correlation energy.Chapter 4 is devoted to the more sophisticated computational methods in quantum chemistry, with an introduction to topics that include: the zero differential overlap approximation; Huckel MO theory of conjugated molecules; Pariser-Parr-Pople MO method; extended Huckel theory; neglect of differential overlap methods; invariance in space requirements; CNDO; INDO; NDDO; MINDO; MNDO; AM1; MNDO-PM3; SAM1; SINDO1; CNDO/S; PCILO,Xα; and ab initio methods.This is followed by an introduction to Moller-Plesset perturbation theory of many electrons, and coupled perturbed Hartree Fock theory, with a description of the coupled cluster method. Finally Chapter 5 applies these methods to problems of contemporary interest.The book is designed to be a junior/senior level text in computational quantum mechanics, suitable for undergraduates and graduates in chemistry, physics, computer science, and associated disciplines.
Author : Otfried Madelung
Publisher : Springer Science & Business Media
ISBN 13 : 9783540604433
Total Pages : 508 pages
Book Rating : 4.6/5 (44 download)
Download or read book Introduction to Solid-State Theory written by Otfried Madelung and published by Springer Science & Business Media. This book was released on 1996 with total page 508 pages. Available in PDF, EPUB and Kindle. Book excerpt: This textbook for graduate students of physics and materials science also provides the theoretical background needed by physicists carrying out research in pure solid-state physics and its applications to electrical engineering.
Author : D.E. Ellis
Publisher : Springer Science & Business Media
ISBN 13 : 9401104875
Total Pages : 321 pages
Book Rating : 4.4/5 (11 download)
Download or read book Density Functional Theory of Molecules, Clusters, and Solids written by D.E. Ellis and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 321 pages. Available in PDF, EPUB and Kindle. Book excerpt: Rapid advances are taking place in the application of density functional theory (DFT) to describe complex electronic structures, to accurately treat large systems and to predict physical and chemical properties. Both theoretical content and computational methodology are developing at a pace which offers researchers new opportunities in areas such as quantum chemistry, cluster science, and solid state physics. This volume contains ten contributions by leading scientists in the field and provides an authoritative overview of the most important developments. The book focuses on the following themes: determining adequate approximations for the many-body problem of electronic correlations; how to transform these approximations into computational algorithms; applications to discover and predict properties of electronic systems; and developing the theory. For researchers in surface chemistry, catalysis, ceramics and inorganic chemistry.
Author : Ming-Fu Li
Publisher : World Scientific
ISBN 13 : 9814502561
Total Pages : 588 pages
Book Rating : 4.8/5 (145 download)
Download or read book Modern Semiconductor Quantum Physics written by Ming-Fu Li and published by World Scientific. This book was released on 1995-02-28 with total page 588 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modern Semiconductor Quantum Physics has the following constituents: (1) energy band theory: pseudopotential method (empirical and ab initio); density functional theory; quasi-particles; LCAO method; k.p method; spin-orbit splitting; effect mass and Luttinger parameters; strain effects and deformation potentials; temperature effects. (2) Optical properties: absorption and exciton effect; modulation spectroscopy; photo luminescence and photo luminescence excitation; Raman scattering and polaritons; photoionization. (3) Defects and Impurities: effective mass theory and shallow impurity states; deep state cluster method, super cell method,Green's function method; carrier recombination kinetics; trapping transient measurements; electron spin resonance; electron lattice interaction and lattice relaxation effects; multi-phonon nonradiative recombination; negative U center, DX center and EL2 Defects. (4) Semiconductor surfaces: two dimensional periodicity and surface reconstruction; surface electronic states; photo-electron spectroscopy; LEED, STM and other experimental methods. (5) Low-dimensional structures: Heterojunctions, quantum wells; superlattices, quantum-confined Stark effect and Wannier-Stark ladder effects; resonant tunneling, quantum Hall effect, quantum wires and quantum dots. This book can be used as an advanced textbook on semiconductor physics for graduate students in physics and electrical engineering departments. It is also useful as a research reference for solid state scientists and semiconductor device engineers. Contents:The Energy Band Theory of a Perfect CrystalOptical Properties of SemiconductorsElectronic States at Defects and ImpuritiesSemiconductor SurfacesLow-Dimensional Semiconductor StructuresAppendices Readership: Condensed matter physicists, solid-state chemists, materials scientists, engineers and electronic engineers. keywords:Semiconductor;Physics;Quantum;Energy Bands;Optical Properties;Defects;Surfaces;Low Dimensional Semiconductors
Author : R N Dixon
Publisher : Royal Society of Chemistry
ISBN 13 : 1847557139
Total Pages : 224 pages
Book Rating : 4.8/5 (475 download)
Download or read book Theoretical Chemistry written by R N Dixon and published by Royal Society of Chemistry. This book was released on 2007-10-31 with total page 224 pages. Available in PDF, EPUB and Kindle. Book excerpt: Specialist Periodical Reports provide systematic and detailed review coverage of progress in the major areas of chemical research. Written by experts in their specialist fields the series creates a unique service for the active research chemist, supplying regular critical in-depth accounts of progress in particular areas of chemistry. For over 90 years The Royal Society of Chemistry and its predecessor, the Chemical Society, have been publishing reports charting developments in chemistry, which originally took the form of Annual Reports. However, by 1967 the whole spectrum of chemistry could no longer be contained within one volume and the series Specialist Periodical Reports was born. The Annual Reports themselves still existed but were divided into two, and subsequently three, volumes covering Inorganic, Organic and Physical Chemistry. For more general coverage of the highlights in chemistry they remain a 'must'. Since that time the SPR series has altered according to the fluctuating degree of activity in various fields of chemistry. Some titles have remained unchanged, while others have altered their emphasis along with their titles; some have been combined under a new name whereas others have had to be discontinued. The current list of Specialist Periodical Reports can be seen on the inside flap of this volume.
Author : Joachim Bargon
Publisher : Springer Science & Business Media
ISBN 13 : 1468448471
Total Pages : 367 pages
Book Rating : 4.4/5 (684 download)
Download or read book Methods and Materials in Microelectronic Technology written by Joachim Bargon and published by Springer Science & Business Media. This book was released on 2013-03-09 with total page 367 pages. Available in PDF, EPUB and Kindle. Book excerpt: The papers collected in this volume were presented at the International Symposium on Methods and Materials in Microelectronic Technology. This symposium was sponsored by IBM Germany, and it was held September 29 - October 1, 1982, in Bad Neuenahr, West Germany. The progress of semiconductor and microelectronic technology has become so rapid and the field so sophisticated that it is imperative to exchange the latest insight gained as frequently as it can be accomplished. In addition, it is peculiar for this field that the bulk of the investigations are carried out at industrial research and development laboratories, which makes some of the results less readily accessible. Because of these circumstances, the academic community, which among other things, is supposed to communicate the prog ress in this field to students of different disciplines, finds it rather difficult to stay properly informed. It was the intent of this IBM sponsored symposium to bring together key scientists from academic institutions, primarily from Europe, with principal investigators of the industrial scene. Accordingly, this symposium exposed technologists to scientists and vice versa. Scientific advances often lead directly to technological innovations. In turn, new technologies are often arrived at empirically and, because of that, are initially poorly understood. Scientific inquiry then attempts to probe these processes and phenomena in order to achieve a better understanding. Thus science and technology are intricately interconnected, and it is important that technical exchange between technolo gists and scientists is facilitated, since the problems are typically interdiscipli nary in nature.
Author : Frederick Seitz
Publisher : Academic Press
ISBN 13 : 0126077312
Total Pages : 322 pages
Book Rating : 4.1/5 (26 download)
Download or read book Solid State Physics written by Frederick Seitz and published by Academic Press. This book was released on 1976 with total page 322 pages. Available in PDF, EPUB and Kindle. Book excerpt: Solid State Physics V31.
Author : N. Hannay
Publisher : Springer Science & Business Media
ISBN 13 : 1461343135
Total Pages : 501 pages
Book Rating : 4.4/5 (613 download)
Download or read book Treatise on Solid State Chemistry written by N. Hannay and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: The last quarter-century has been marked by the extremely rapid growth of the solid-state sciences. They include what is now the largest subfield of physics, and the materials engineering sciences have likewise flourished. And, playing an active role throughout this vast area of science and engineer ing have been very large numbers of chemists. Yet, even though the role of chemistry in the solid-state sciences has been a vital one and the solid-state sciences have, in turn, made enormous contributions to chemical thought, solid-state chemistry has not been recognized by the general body of chemists as a major subfield of chemistry. Solid-state chemistry is not even well defined as to content. Some, for example, would have it include only the quantum chemistry of solids and would reject thermodynamics and phase equilibria; this is nonsense. Solid-state chemistry has many facets, and one of the purposes of this Treatise is to help define the field. Perhaps the most general characteristic of solid-state chemistry, and one which helps differentiate it from solid-state physics, is its focus on the chemical composition and atomic configuration of real solids and on the relationship of composition and structure to the chemical and physical properties of the solid. Real solids are usually extremely complex and exhibit almost infinite variety in their compositional and structural features.
Author : Melvin Robin
Publisher : Elsevier
ISBN 13 : 0323152597
Total Pages : 390 pages
Book Rating : 4.3/5 (231 download)
Download or read book Higher Excited States of Polyatomic Molecules written by Melvin Robin and published by Elsevier. This book was released on 2012-12-02 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt: Higher Excited States of Polyatomic Molecules, Volume I focuses on the spectra in the vacuum-ultraviolet region between 50,000 and 100,000 cm-1. This book explores the higher excitations in molecules beyond 50,000 cm-1. Organized into three chapters, this volume starts with an overview of the excited-state properties of a molecule and the excited-state ionization potential. This book then proceeds with a discussion of the original classification of the properties as well as the types of excitations observed in the vacuum-ultraviolet. Other chapters discuss photoelectron spectroscopy, which is an independent, self-sustaining branch of molecular spectroscopy. This text examines as well the distinction between valence shell and Rydberg excitations. The final chapter deals with several topics, including the saturated molecules that are classified as having all valence electrons, the alkene absorption spectra, and the spectroscopic data on boron compounds. Analytical chemists, photochemists, molecular spectroscopists, and researchers will find this book extremely useful.
Author : Jens Peder Dahl
Publisher : Springer Science & Business Media
ISBN 13 : 1489921427
Total Pages : 848 pages
Book Rating : 4.4/5 (899 download)
Download or read book Local Density Approximations in Quantum Chemistry and Solid State Physics written by Jens Peder Dahl and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 848 pages. Available in PDF, EPUB and Kindle. Book excerpt: The· simplest picture of an atom, a molecule or a solid is the picture of its distribution of charge. It is obtained by specifying the positions of the atomic nuclei and by showing how the density, p(E), of the electronic charge-cloud varies from place to place. A much more detailed picture is provided by the many-electron wavefunction. This quantity shows not only the arrangement of the electrons with respect to the nuclei, but also the arrangement of the electrons with respect to each other, and it allows the evaluation of the total energy and other properties. The many-electron wavefunction is in principle obtained by solving the many-electron Schrodinger equation for the motion of the interacting electrons under the influ ence of the nuclei, but in practice the equation is unsolvable, and it is necessary to proceed by methods of approximation. Needless to say, .such methods will as a rule depend on the complexity of the system considered.
Author : S. Bratos
Publisher : Springer Science & Business Media
ISBN 13 : 1461331110
Total Pages : 461 pages
Book Rating : 4.4/5 (613 download)
Download or read book Vibrational Spectroscopy of Molecular Liquids and Solids written by S. Bratos and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 461 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book has its or1g1n in a NATO Summer School organized from June 25 to July 7 1979, in Menton, France. The purpose of this School was a comparative study of the various aspects of vibra tional spectroscopy in molecular liquids and solids. This field has been rapidly expanding in the last decade; unfortunately, its development took place independently for liquids and for solids. In these circumstances, the comparison of the basic concepts and techniques used in these two branches of physics appeared as a necessity. The lectures given at the Menton Advanced Study Institute, as well as the exceptionally fruitful and lively discussions which followed them confirmed this point of view. The need of putting together these lectures, in the form of a monograph, clearly appeared during the ASI and the lecturers accepted to write down the material they presented at the Institute, improved thanks to the remarks of the participants. It is the result of this collective work which appears in the familiar Plenum Series.
