Quantum Size Effects in the Optical Properties of Small Metallic Particles. Hartree-Fock Variational Treatment of Structural Properties of Molecular and Metallic Hydrogen at High Pressures PDF Download

Author: David Mendenhall Wood
Publisher:
ISBN:
Category : Hydrogen
Languages : en
Pages : 476

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ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 806

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Author:
Publisher:
ISBN:
Category : Dissertations, Academic
Languages : en
Pages : 892

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Vols. for 1973- include the following subject areas: Biological sciences, Agriculture, Chemistry, Environmental sciences, Health sciences, Engineering, Mathematics and statistics, Earth sciences, Physics, Education, Psychology, Sociology, Anthropology, History, Law & political science, Business & economics, Geography & regional planning, Language & literature, Fine arts, Library & information science, Mass communications, Music, Philosophy and Religion.

Author:
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ISBN:
Category : Dissertation abstracts
Languages : en
Pages : 604

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Category : Physics
Languages : en
Pages : 1288

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Author: Alev Devrim Güçlü
Publisher: Springer
ISBN: 3662446111
Category : Science
Languages : en
Pages : 181

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This book reflects the current status of theoretical and experimental research of graphene based nanostructures, in particular quantum dots, at a level accessible to young researchers, graduate students, experimentalists and theorists. It presents the current state of research of graphene quantum dots, a single or few monolayer thick islands of graphene. It introduces the reader to the electronic and optical properties of graphite, intercalated graphite and graphene, including Dirac fermions, Berry's phase associated with sublattices and valley degeneracy, covers single particle properties of graphene quantum dots, electron-electron interaction, magnetic properties and optical properties of gated graphene nanostructures. The electronic, optical and magnetic properties of the graphene quantum dots as a function of size, shape, type of edge and carrier density are considered. Special attention is paid to the understanding of edges and the emergence of edge states for zigzag edges. Atomistic tight binding and effective mass approaches to single particle calculations are performed. Furthermore, the theoretical and numerical treatment of electron-electron interactions at the mean-field, HF, DFT and configuration-interaction level is described in detail.

Author: David S. Sholl
Publisher: John Wiley & Sons
ISBN: 1118211049
Category : Science
Languages : en
Pages : 252

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Demonstrates how anyone in math, science, and engineering can master DFT calculations Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems. Density Functional Theory: A Practical Introduction offers a concise, easy-to-follow introduction to the key concepts and practical applications of DFT, focusing on plane-wave DFT. The authors have many years of experience introducing DFT to students from a variety of backgrounds. The book therefore offers several features that have proven to be helpful in enabling students to master the subject, including: Problem sets in each chapter that give readers the opportunity to test their knowledge by performing their own calculations Worked examples that demonstrate how DFT calculations are used to solve real-world problems Further readings listed in each chapter enabling readers to investigate specific topics in greater depth This text is written at a level suitable for individuals from a variety of scientific, mathematical, and engineering backgrounds. No previous experience working with DFT calculations is needed.

Author: K.D. Sen
Publisher: Springer
ISBN: 3319099825
Category : Science
Languages : en
Pages : 260

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The present volume is a collection of review articles highlighting the fundamental advances made in this area by the internationally acclaimed research groups , most of them being pioneers themselves and coming together for the first time.

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: Istvan Mayer
Publisher: Springer Science & Business Media
ISBN: 1475765193
Category : Science
Languages : en
Pages : 341

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Book Description
Since 1983 I have been delivering lectures at Budapest University that are mainly attended by chemistry students who have already studied quantum chem istry in the amount required by the (undergraduate) chemistry curriculum of the University, and wish to acquire deeper insight in the field, possibly in prepara tion of a master's or Ph.D. thesis in theoretical chemistry. In such a situation, I have the freedom to discuss, in detail, a limited number of topics which I feel are important for one reason or another. The exact coverage may vary from year to year, but I usually concentrate on the general principles and theorems and other basic theoretical results which I foresee will retain their importance despite the rapid development of quantum chemistry. I commonly organize my lectures by treating the subject from the begin ning, without referring explicitly to any actual previous knowledge in quantum chemistry-only some familiarity with its goals, approaches and, to a lesser ex tent, techniques is supposed. I concentrate on the formulae and their derivation, assuming the audience essentially understands the reasons for deriving these results. This book is basically derived from the material of my lectures. The spe cial feature, distinguishing it from most other textbooks, is that all results are explicitly proved or derived, and the derivations are presented completely, step by step. True understanding of a theoretical result can be achieved only if one has gone through its derivation.