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Density functional theory : a practical introduction /
"Demonstrates how anyone in math, science, and engineering can master DFT calculations. Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfac...
| Clasificación: | Libro Electrónico |
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| Autor principal: | |
| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Hoboken, N.J. :
Wiley,
©2009.
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| Temas: | |
| Acceso en línea: | Texto completo |
| Sumario: | "Demonstrates how anyone in math, science, and engineering can master DFT calculations. Density functional theory (DFT) is one of the most frequently used computational tools for studying and predicting the properties of isolated molecules, bulk solids, and material interfaces, including surfaces. Although the theoretical underpinnings of DFT are quite complicated, this book demonstrates that the basic concepts underlying the calculations are simple enough to be understood by anyone with a background in chemistry, physics, engineering, or mathematics. The authors show how the widespread availability of powerful DFT codes makes it possible for students and researchers to apply this important computational technique to a broad range of fundamental and applied problems"--Provided by publisher |
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| Descripción Física: | 1 online resource (xii, 238 pages) : illustrations |
| Bibliografía: | Includes bibliographical references and index. |
| ISBN: | 9780470447710 0470447710 9780470447703 0470447702 128213728X 9781282137288 |