Download or read book Density Functional Theory written by Reiner M. Dreizler and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density Functional Theory is a rapidly developing branch of many-particle physics that has found applications in atomic, molecular, solid-state and nuclear physics. This book describes the conceptual framework of density functional theory and discusses in detail the derivation of explicit functionals from first principles as well as their application to Coulomb systems. Both non-relativistic and relativistic systems are treated. The connection of density functional theory with other many-body methods is highlighted. The presentation is self-contained; the book is, thus, well suited for a graduate course on density functional theory.
Download or read book Density Functionals For Many particle Systems Mathematical Theory And Physical Applications Of Effective Equations written by Berthold-georg Englert and published by World Scientific. This book was released on 2023-02-10 with total page 397 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density Functional Theory (DFT) first established it's theoretical footing in the 1960s from the framework of Hohenberg-Kohn theorems. DFT has since seen much development in evaluation techniques as well as application in solving problems in Physics, Mathematics and Chemistry.This review volume, part of the IMS Lecture Notes Series, is a collection of contributions from the September 2019 Workshop on the topic, held in the Institute for Mathematical Sciences, National University of Singapore.With contributions from prominent Mathematicians, Physicists, and Chemists, the volume is a blend of comprehensive review articles on the Mathematical and the Physicochemical aspects of DFT and shorter contributions on particular themes, including numerical implementations.The book will be a useful reference for advanced undergraduate and postgraduate students as well as researchers.
Download or read book Density Functionals for Many Particle Systems written by Berthold-Georg Englert and published by . This book was released on 2023-02-10 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density Functional Theory (DFT) first established it's theoretical footing in the 1960s from the framework of Hohenberg-Kohn theorems. DFT has since seen much development in evaluation techniques as well as application in solving problems in Physics, Mathematics and Chemistry.This review volume, part of the IMS Lecture Notes Series, is a collection of contributions from the September 2019 Workshop on the topic, held in the Institute for Mathematical Sciences, National University of Singapore.With contributions from prominent Mathematicians, Physicists, and Chemists, the volume is a blend of comprehensive review articles on the Mathematical and the Physicochemical aspects of DFT and shorter contributions on particular themes, including numerical implementations.The book will be a useful reference for advanced undergraduate and postgraduate students as well as researchers.
Download or read book Density Functional Theory written by Eberhard Engel and published by Springer Science & Business Media. This book was released on 2011-02-14 with total page 543 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and quantum chemical systems. This work offers a rigorous and detailed introduction to the foundations of this theory, up to and including such advanced topics as orbital-dependent functionals as well as both time-dependent and relativistic DFT. Given the many ramifications of contemporary DFT, the text concentrates on the self-contained presentation of the basics of the most widely used DFT variants: this implies a thorough discussion of the corresponding existence theorems and effective single particle equations, as well as of key approximations utilized in implementations. The formal results are complemented by selected quantitative results, which primarily aim at illustrating the strengths and weaknesses of particular approaches or functionals. The structure and content of this book allow a tutorial and modular self-study approach: the reader will find that all concepts of many-body theory which are indispensable for the discussion of DFT - such as the single-particle Green's function or response functions - are introduced step by step, along with the actual DFT material. The same applies to basic notions of solid state theory, such as the Fermi surface of inhomogeneous, interacting systems. In fact, even the language of second quantization is introduced systematically in an Appendix for readers without formal training in many-body theory.
Download or read book Theory and Simulation of Hard Sphere Fluids and Related Systems written by Angel Mulero and published by Springer. This book was released on 2008-07-10 with total page 568 pages. Available in PDF, EPUB and Kindle. Book excerpt: Hard spheres and related objects (hard disks and mixtures of hard systems) are paradigmatic systems: indeed, they have served as a basis for the theoretical and numerical development of a number of fields, such as general liquids and fluids, amorphous solids, liquid crystals, colloids and granular matter, to name but a few. The present volume introduces and reviews some important basics and progress in the study of such systems. Their structure, thermodynamic properties, equations of state, as well as kinetic and transport properties are considered from different and complementary points of view. This book addresses graduate students, lecturers as well as researchers in statistical mechanics, physics of liquids, physical chemistry and chemical engineering.
Download or read book Density Functional Methods In Physics written by Reiner M. Dreizler and published by Springer Science & Business Media. This book was released on 2013-11-11 with total page 530 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Energy Density Functional Theory of Many Electron Systems written by Eugene S. Kryachko and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 862 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Density Functional Theory of Atoms and Molecules written by Robert G. Parr and published by Oxford University Press. This book was released on 1994-05-26 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: 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.
Download or read book Recent Advances in Density Functional Methods written by Delano Pun Chong and published by World Scientific. This book was released on 1995 with total page 344 pages. Available in PDF, EPUB and Kindle. Book excerpt: Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as the computational methodology of DFT.This Part II expands on the methodology and applications of DFT. Some of the chapters report on the latest developments (since the publication of Part I in 1995), while others extend the applications to wider range of molecules and their environments. Together, this and other recent review volumes on DFT show that DFT provides an efficient and accurate alternative to traditional quantum chemical methods. Such demonstration should hopefully stimulate frutiful developments in formal theory, better exchange-correlation functionals, and linear scaling methodology.
Download or read book Encyclopedic Dictionary of Condensed Matter Physics written by Charles P. Poole Jr. and published by Academic Press. This book was released on 2004-03-11 with total page 1658 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume is a translation and revision of the Original Russian version by Baryahktar. It covers all of the main fields involved in Condensed Matter Physics, such as crystallography, electrical properties, fluids, magnetism, material properties, optics, radiation, semiconductors, and superconductivity, as well as highlights of important related subjects such as quantum mechanics, spectroscopy, and statistical mechanics. Both theoretical and experimental aspects of condensed matter are covered in detail. The entries range from very short paragraphs on topics where definitions are needed, such as Bloch's law, clathrate compound, donor, domain, Kondo lattice, mean free path, and Wigner crystal, to long discussions of more general or more comprehensive topics such as antiferromagnetism, crystal lattice dynamics, dislocations, Fermi surface, Josephson effect, luminescence, magnetic films, phase transitions and semiconductors. The main theoretical approaches to Condensed Matter Physics are explained. There are several long tables on, for example, Bravais lattices, characteristics of magnetic materials, units of physical quantities, symmetry groups. The properties of the main elements of the periodic table are given. Numerous entries not covered by standard Solid State Physics texts o Self-similarity o The adiabatic approximation o Bistability Emphasis on materials not discussed in standard texts o Activated carborn o Austenite o Bainite o Calamitics o Carbine o Delat phase o Discotics o Gunier-Preston zones o Heterodesmic structures o Heusler Alloys o Stress and strain deviators o Vicalloy · Each entry is fully cross-referenced to help tracking down all aspects of a topic under investigation Highly illustrated to clarify many concepts
Download or read book Modern Many particle Physics written by Enrico Lipparini and published by World Scientific. This book was released on 2008 with total page 597 pages. Available in PDF, EPUB and Kindle. Book excerpt: A study of modern many-particle physics, this text describes homogenous systems, such as electron gas in different dimensions, the quantum well in an intense magnetic field, liquid helium and nuclear matter, and addresses finite systems, such as metallic clusters, quantum dots, helium drops and nuclei.
Download or read book The Fundamentals of Density Functional Theory written by and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 205 pages. Available in PDF, EPUB and Kindle. Book excerpt: Density functional methods form the basis of a diversified and very active area of present days computational atomic, molecular, solid state and even nuclear physics. A large number of computational physicists use these meth ods merely as a recipe, not reflecting too much upon their logical basis. One also observes, despite of their tremendeous success, a certain reservation in their acceptance on the part of the more theoretically oriented researchers in the above mentioned fields. On the other hand, in the seventies (Thomas Fermi theory) and in the eighties (Hohenberg-Kohn theory), density func tional concepts became subjects of mathematical physics. In 1994 a number of activities took place to celebrate the thirtieth an niversary of Hohenberg-Kohn-Sham theory. I took this an occassion to give lectures on density functional theory to senior students and postgraduates in the winter term of 1994, particularly focusing on the logical basis of the the ory. Preparing these lectures, the impression grew that, although there is a wealth of monographs and reviews in the literature devoted to density func tional theory, the focus is nearly always placed upon extending the practical applications of the theory and on the development of improved approxima tions. The logical foundadion of the theory is found somewhat scattered in the existing literature, and is not always satisfactorily presented. This situation led to the idea to prepare a printed version of the lecture notes, which resulted in the present text.
Download or read book Inequalities written by Elliott H. Lieb and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 687 pages. Available in PDF, EPUB and Kindle. Book excerpt: Inequalities play a fundamental role in Functional Analysis and it is widely recognized that finding them, especially sharp estimates, is an art. E. H. Lieb has discovered a host of inequalities that are enormously useful in mathematics as well as in physics. His results are collected in this book which should become a standard source for further research. Together with the mathematical proofs the author also presents numerous applications to the calculus of variations and to many problems of quantum physics, in particular to atomic physics.
Download or read book Density Functional Methods for Excited States written by Nicolas Ferré and published by Springer. This book was released on 2015-08-26 with total page 487 pages. Available in PDF, EPUB and Kindle. Book excerpt: The series Topics in Current Chemistry presents critical reviews of the present and future trends in modern chemical research. The scope of coverage is all areas of chemical science including the interfaces with related disciplines such as biology, medicine and materials science. The goal of each thematic volume is to give the non-specialist reader, whether in academia or industry, a comprehensive insight into an area where new research is emerging which is of interest to a larger scientific audience. Each review within the volume critically surveys one aspect of that topic and places it within the context of the volume as a whole. The most significant developments of the last 5 to 10 years are presented using selected examples to illustrate the principles discussed. The coverage is not intended to be an exhaustive summary of the field or include large quantities of data, but should rather be conceptual, concentrating on the methodological thinking that will allow the non-specialist reader to understand the information presented. Contributions also offer an outlook on potential future developments in the field. Review articles for the individual volumes are invited by the volume editors. Readership: research chemists at universities or in industry, graduate students
Download or read book Time Dependent Density Functional Theory written by Carsten Ullrich and published by Oxford University Press. This book was released on 2012 with total page 541 pages. Available in PDF, EPUB and Kindle. Book excerpt: Time-dependent density-functional theory (TDDFT) is a quantum mechanical approach for the dynamical properties of electrons in matter. It's widely used in (bio)chemistry and physics to calculate molecular excitation energies and optical properties of materials. This is the first graduate-level text on the formal framework and applications of TDDFT.
Download or read book Density Matrices and Density Functionals written by R.M. Erdahl and published by Springer Science & Business Media. This book was released on 2012-12-06 with total page 718 pages. Available in PDF, EPUB and Kindle. Book excerpt: THE COLEMAN SYMPOSIUM This collection of papers is dedicated to Albert John Coleman for his enthusiastic devotion to teaching and research and his many scientific accomplishments. John was born in Toronto on May 20, 1918 and 21 years later graduated from the University of Toronto in mathematics. Along the way he teamed up with Irving Kaplansky and Nathan Mendelson to win the first William Lowell Putnam Mathematical Competition in 1938. He earned his M.A. at Princeton in 1942 and then his Ph.D. at Toronto in 1943 in relativistic quantum mechanics under the direction of Leopold Infeld. During this period he was secretary of the Student Christian Movement in Toronto. Later, in 1945, he became traveling secretary of the World's Student Christian Federation in Geneva and in this capacity visited some 100 universities in 20 countries in the next four years. He spent the 50's as a member of the faculty at the University of Toronto and for 20 years, starting in 1960, he served as Dupuis Professor of Mathematics and Head of the Department at Queen's University. Since 1983 he has been Professor Emeritus at Queen's.
Download or read book A Physicist s View Of Matter And Mind written by Chandre Dharma-wardana and published by World Scientific. This book was released on 2013-03-20 with total page 518 pages. Available in PDF, EPUB and Kindle. Book excerpt: This is a highly interdisciplinary book straddling physics and complex systems such as living organisms. The presentation is from the perspective of physics, in a manner accessible to those interested in scientific knowledge integrated within its socio-cultural and philosophical backgrounds. Two key areas of human understanding, namely physics and conscious complex systems, are presented in simple language. An optional technical presentation is also given in parallel where it is needed.
