A Matter Of Density
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Author | : N. Sukumar |
Publisher | : John Wiley & Sons |
Total Pages | : 263 |
Release | : 2012-09-18 |
Genre | : Science |
ISBN | : 1118431723 |
The origins and significance of electron density in the chemical, biological, and materials sciences Electron density is one of the fundamental concepts underlying modern chemistry and one of the key determinants of molecular structure and stability. It is also the basic variable of density functional theory, which has made possible, in recent years, the application of the mathematical theory of quantum physics to chemical and biological systems. With an equal emphasis on computational and philosophical questions, A Matter of Density: Exploring the Electron Density Concept in the Chemical, Biological, and Materials Sciences addresses the foundations, analysis, and applications of this pivotal chemical concept. The first part of the book presents a coherent and logically connected treatment of the theoretical foundations of the electron density concept. Discussion includes the use of probabilities in statistical physics; the origins of quantum mechanics; the philosophical questions at the heart of quantum theory, like quantum entanglement; and methods for the experimental determination of electron density distributions. The remainder of the book deals with applications of the electron density concept in the chemical, biological, and materials sciences. Contributors offer insights on how a deep understanding of the origins of chemical reactivity can be gleaned from the concepts of density functional theory. Also discussed are the applications of electron density in molecular similarity analysis and electron density-derived molecular descriptors, such as electrostatic potentials and local ionization energies. This section concludes with some applications of modern density functional theory to surfaces and interfaces. An essential reference for students as well as quantum and computational chemists, physical chemists, and physicists, this book offers an unparalleled look at the development of the concept of electron density from its inception to its role in density functional theory, which led to the 1998 Nobel Prize in Chemistry.
Author | : Vladimir E. Fortov |
Publisher | : Springer |
Total Pages | : 714 |
Release | : 2015-12-26 |
Genre | : Science |
ISBN | : 3319189530 |
With its many beautiful colour pictures, this book gives fascinating insights into the unusual forms and behaviour of matter under extremely high pressures and temperatures. These extreme states are generated, among other things, by strong shock, detonation and electric explosion waves, dense laser beams, electron and ion beams, hypersonic entry of spacecraft into dense atmospheres of planets and in many other situations characterized by extremely high pressures and temperatures. Written by one of the world's foremost experts on the topic, this book will inform and fascinate all scientists dealing with materials properties and physics and also serve as an excellent introduction to plasma-, shock-wave and high-energy-density physics for students and newcomers seeking an overview. This second edition is thoroughly revised and expanded, in particular with new material on high energy-density physics, nuclear explosions and other nuclear transformation processes.
Author | : Jon Larsen |
Publisher | : Cambridge University Press |
Total Pages | : 759 |
Release | : 2017-03-10 |
Genre | : Science |
ISBN | : 1107124115 |
A valuable and complete resource that brings together many of the branches of physics needed in high-energy-density physics. Targeted at research scientists and graduate students in physics and astrophysics, this book begins with basic concepts and develops a detailed explanation of the physics of hydrodynamics and energy transport in plasma.
Author | : Robert G. Parr |
Publisher | : Oxford University Press |
Total Pages | : 344 |
Release | : 1994-05-26 |
Genre | : Science |
ISBN | : 0195357736 |
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.
Author | : Jennifer Boothroyd |
Publisher | : Lerner Publications TM |
Total Pages | : 33 |
Release | : 2017-08-01 |
Genre | : Juvenile Nonfiction |
ISBN | : 1512465135 |
AudiseeĀ® eBooks with Audio combine professional narration and text highlighting for an engaging read aloud experience! A rock sinks in the water. A hot air balloon floats in the air. Many objects float and sink. But what makes them move this way? And how do people use floating and sinking in their lives? Read this book to find out! Learn all about matter, energy, and forces in the Exploring Physical Science seriesāpart of the Lightning Bolt BooksTM collection. With high-energy designs, exciting photos, and fun text, Lightning Bolt BooksTM bring nonfiction topics to life!
Author | : Reiner M. Dreizler |
Publisher | : Springer Science & Business Media |
Total Pages | : 530 |
Release | : 2013-11-11 |
Genre | : Science |
ISBN | : 1475708181 |
Author | : Carlo Gatti |
Publisher | : Springer Science & Business Media |
Total Pages | : 800 |
Release | : 2012-01-09 |
Genre | : Science |
ISBN | : 9048138353 |
Focusing on developments from the past 10-15 years, this volume presents an objective overview of the research in charge density analysis. The most promising methodologies are included, in addition to powerful interpretative tools and a survey of important areas of research.
Author | : Jorge M. Seminario |
Publisher | : Elsevier |
Total Pages | : 863 |
Release | : 1996-11-18 |
Genre | : Science |
ISBN | : 0080540392 |
The present status of Density Functional Theory (DFT), which has evolved as the main technique for the study of matter at the atomistic level, is described in this volume. Knowing the behavior of atoms and molecules provides a sure avenue for the design of new materials with specific features and properties in many areas of science and technology. A technique based on purely first principles allowing large savings in time and money greatly benefits the specialist or designer of new materials.The range of areas where DFT is applied has expanded and continues to do so. Any area where a molecular system is the center of attention can be studied using DFT.The scope of the 22 chapters in this book amply testifies to this.
Author | : William Sloane |
Publisher | : W W Norton & Company Incorporated |
Total Pages | : 123 |
Release | : 1983 |
Genre | : Language Arts & Disciplines |
ISBN | : 9780393300505 |
A writer, editor, publisher, and teacher, Sloane presents his ideas on writing and on teaching the craft of writing in chapters derived chiefly from lectures presented at the Bread Loaf Writers' Conference
Author | : Carlos Fiolhais |
Publisher | : Springer Science & Business Media |
Total Pages | : 290 |
Release | : 2003-06-11 |
Genre | : Science |
ISBN | : 3540030832 |
Density functional theory (DFT) is by now a well-established method for tackling the quantum mechanics of many-body systems. Originally applied to compute properties of atoms and simple molecules, DFT has quickly become a work horse for more complex applications in the chemical and materials sciences. The present set of lectures, spanning the whole range from basic principles to relativistic and time-dependent extensions of the theory, is the ideal introduction for graduate students or nonspecialist researchers wishing to familiarize themselves with both the basic and most advanced techniques in this field.