Recent developments and applications of modern density functional theory:
Gespeichert in:
| Format: | Elektronisch E-Book |
|---|---|
| Sprache: | English |
| Veröffentlicht: |
Amsterdam
Elsevier
1996
|
| Schriftenreihe: | Theoretical and computational chemistry
4 |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Beschreibung: | Includes bibliographical references and index 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 |
| Beschreibung: | 1 Online-Ressource (xxiv, 838 p.) |
| ISBN: | 9780444824042 0444824049 9780080540399 0080540392 |
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| isbn | 9780444824042 0444824049 9780080540399 0080540392 |
| language | English |
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| spelling | Recent developments and applications of modern density functional theory edited by J.M. Seminario Amsterdam Elsevier 1996 1 Online-Ressource (xxiv, 838 p.) txt rdacontent c rdamedia cr rdacarrier Theoretical and computational chemistry 4 Includes bibliographical references and index 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 SCIENCE / Chemistry / Physical & Theoretical bisacsh Density functionals fast Electronic structure fast Quantum chemistry fast Chemie Density functionals Quantum chemistry Electronic structure Dichtefunktionalformalismus (DE-588)4258514-4 gnd rswk-swf 1\p (DE-588)4143413-4 Aufsatzsammlung gnd-content Dichtefunktionalformalismus (DE-588)4258514-4 s 2\p DE-604 Seminario, J. M. Sonstige oth http://www.sciencedirect.com/science/book/9780444824042 Verlag Volltext 1\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk 2\p cgwrk 20201028 DE-101 https://d-nb.info/provenance/plan#cgwrk |
| spellingShingle | Recent developments and applications of modern density functional theory SCIENCE / Chemistry / Physical & Theoretical bisacsh Density functionals fast Electronic structure fast Quantum chemistry fast Chemie Density functionals Quantum chemistry Electronic structure Dichtefunktionalformalismus (DE-588)4258514-4 gnd |
| subject_GND | (DE-588)4258514-4 (DE-588)4143413-4 |
| title | Recent developments and applications of modern density functional theory |
| title_auth | Recent developments and applications of modern density functional theory |
| title_exact_search | Recent developments and applications of modern density functional theory |
| title_full | Recent developments and applications of modern density functional theory edited by J.M. Seminario |
| title_fullStr | Recent developments and applications of modern density functional theory edited by J.M. Seminario |
| title_full_unstemmed | Recent developments and applications of modern density functional theory edited by J.M. Seminario |
| title_short | Recent developments and applications of modern density functional theory |
| title_sort | recent developments and applications of modern density functional theory |
| topic | SCIENCE / Chemistry / Physical & Theoretical bisacsh Density functionals fast Electronic structure fast Quantum chemistry fast Chemie Density functionals Quantum chemistry Electronic structure Dichtefunktionalformalismus (DE-588)4258514-4 gnd |
| topic_facet | SCIENCE / Chemistry / Physical & Theoretical Density functionals Electronic structure Quantum chemistry Chemie Dichtefunktionalformalismus Aufsatzsammlung |
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