Electronic Density Functional Theory: Recent Progress and New Directions
Gespeichert in:
| 1. Verfasser: | |
|---|---|
| Format: | Elektronisch E-Book |
| Sprache: | English |
| Veröffentlicht: |
Boston, MA
Springer US
1998
|
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | 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) |
| Beschreibung: | 1 Online-Ressource (X, 396 p) |
| ISBN: | 9781489903167 9781489903181 |
| DOI: | 10.1007/978-1-4899-0316-7 |
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| spelling | Dobson, John F. Verfasser aut Electronic Density Functional Theory Recent Progress and New Directions edited by John F. Dobson, Giovanni Vignale, Mukunda P. Das Proceedings of an International Workshop held in Nathan, Australia, July 14-19, 1996 Boston, MA Springer US 1998 1 Online-Ressource (X, 396 p) txt rdacontent c rdamedia cr rdacarrier 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) Physics Condensed Matter Physics Theoretical, Mathematical and Computational Physics 1\p (DE-588)1071861417 Konferenzschrift gnd-content Vignale, Giovanni Sonstige oth Das, Mukunda P. Sonstige oth https://doi.org/10.1007/978-1-4899-0316-7 Verlag Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Dobson, John F. Electronic Density Functional Theory Recent Progress and New Directions Physics Condensed Matter Physics Theoretical, Mathematical and Computational Physics |
| subject_GND | (DE-588)1071861417 |
| title | Electronic Density Functional Theory Recent Progress and New Directions |
| title_alt | Proceedings of an International Workshop held in Nathan, Australia, July 14-19, 1996 |
| title_auth | Electronic Density Functional Theory Recent Progress and New Directions |
| title_exact_search | Electronic Density Functional Theory Recent Progress and New Directions |
| title_full | Electronic Density Functional Theory Recent Progress and New Directions edited by John F. Dobson, Giovanni Vignale, Mukunda P. Das |
| title_fullStr | Electronic Density Functional Theory Recent Progress and New Directions edited by John F. Dobson, Giovanni Vignale, Mukunda P. Das |
| title_full_unstemmed | Electronic Density Functional Theory Recent Progress and New Directions edited by John F. Dobson, Giovanni Vignale, Mukunda P. Das |
| title_short | Electronic Density Functional Theory |
| title_sort | electronic density functional theory recent progress and new directions |
| title_sub | Recent Progress and New Directions |
| topic | Physics Condensed Matter Physics Theoretical, Mathematical and Computational Physics |
| topic_facet | Physics Condensed Matter Physics Theoretical, Mathematical and Computational Physics Konferenzschrift |
| url | https://doi.org/10.1007/978-1-4899-0316-7 |
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