Electronic Density Functional Theory | Recent Progress and New Directions

John F. Dobson (u. a.)

ISBN 10: 1489903186 / ISBN 13: 9781489903181

Published by Springer, 2013

About this Item

Electronic Density Functional Theory | Recent Progress and New Directions | John F. Dobson (u. a.) | Taschenbuch | x | Englisch | 2013 | Springer | EAN 9781489903181 | Verantwortliche Person für die EU: Springer Verlag GmbH, Tiergartenstr. 17, 69121 Heidelberg, juergen[dot]hartmann[at]springer[dot]com | Anbieter: preigu.

Seller Inventory # 105581137

Bibliographic Details

• Title: Electronic Density Functional Theory | Recent Progress and New Directions
• Publisher: Springer
• Publication Date: 2013
• Language: English
• ISBN 10: 1489903186
• ISBN 13: 9781489903181
• Binding: Taschenbuch
• Condition: Neu
• Dimensions: 254W x 178H x 23D millimeters 254 millimeters width by 178 millimeters height by 23 millimeters depth
• Weight: 764 grams
• Seller catalogs:
  • Bücher

About this title

Synopsis

This book is an outcome of the International Workshop on Electronic Density Functional Theory, held at Griffith University in Brisbane, Australia, in July 1996. Density functional theory, standing as it does at the boundary between the disciplines of physics, chemistry, and materials science, is a great mixer. Invited experts from North America, Europe, and Australia mingled with students from several disciplines, rapidly taking up the informal style for which Australia is famous. A list of participants is given at the end of the book. Density functional theory (DFT) is a subtle approach to the very difficult problem of predicting the behavior of many interacting particles. A major application is the study of many-electron systems. This was the workshop theme, embracing inter alia computational chemistry and condensed matter physics. DFT circumvents the more conceptually straightforward (but more computationally intensive) approach in which one solves the many-body Schrodinger equation. It relies instead on rather delicate considerations involving the electron number density. For many years the pioneering work of Kohn and Sham (the Local Density Ap­ proximation of 1965 and immediate extensions) represented the state of the art in DFT. This approach was widely used for its appealing simplicity and computability, but gave rather modest accuracy. In the last few years there has been a renaissance of interest, quite largely due to the remarkable success of the new generation of gradient functionals whose initiators include invitees to the workshop (Perdew, Parr, Yang).