This is not a science book, nor even a book about science, although most of the contributors are scientists. It is a book of personal stories about Walter Kohn, a theoretical physicist and winner of half of the 1998 Nobel Prize in Chemistry. Walter Kohn originated and/or refined a number of very important theoretical approaches and concepts in solid-state physics. He is known in particular for Density-Functional Theory. This book represents a kind of "oral history" about him, gathered - in anticipation of his 80th birthday - from former students, collaborators, fellow-scientists, and friends.
One of the outstanding and remarkable traits of Jews throughout their history, several thousand years old, has been their creativity in all fields, especially in science. They have participated in an impressive way in the questioning of values, the dismantling of dogmas, and the irruption of hidden forces. It can be stressed from the outset that the contributions of the Jews to science was out of proportion to the percentage of the population they represent. This remains true for the chemistry of the twentieth century. Through the life and work of twenty-three Nobel Prize winners in chemistry, the author gives us a fascinating story of these men, often exiles and of modest origins, whose science was their vocation and the sharing of knowledge their creed.
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.
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 volume contains ten contributions from active workers in DFT, covering topics from basic principles to methodology to applications. In the Foreword, Prof Walter Kohn gives his perspective on the recent advances in DFT. Because DFT is being developed in so many different directions, no single volume can provide a complete review of DFT. However, this volume will help both beginners and experimentalists to read the growing DFT literature more easily.
While the standard solid state topics are covered, the basic ones often have more detailed derivations than is customary (with an empasis on crystalline solids). Several recent topics are introduced, as are some subjects normally included only in condensed matter physics. Lattice vibrations, electrons, interactions, and spin effects (mostly in magnetism) are discussed the most comprehensively. Many problems are included whose level is from "fill in the steps" to long and challenging, and the text is equipped with references and several comments about experiments with figures and tables.
In the 1970s, Density Functional Theory (DFT) was borrowed from physics and adapted to chemistry by a handful of visionaries. Now chemical DFT is a diverse and rapidly growing field, its progress fueled by numerous developing practical descriptors that make DFT as useful as it is vast. With 34 chapters written by 65 eminent scientists from 13 diffe
How did and does the fate of refugees unfold in internment camps? The contributors to this book facilitate an extensive engagement with the organized, state led, and forced placement of refugees in the past and present. They show the parallels and differences between the practices and types of internment in different countries - while considering the specific historical contexts. Moreover, they highlight the nexus of relationships and agencies which constitute the camps in question as transitory spaces. The contributions consist of analyses of local phenomena or case studies as well as comparative engagements from an international and/or historical perspective.
