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 surfaces. Al...
| Main Author: | |
|---|---|
| Other Authors: | |
| Format: | eBook |
| Language: | English |
| Published: |
Hoboken, N.J. :
Wiley,
[2009]
|
| Series: | Wiley online library.
|
| Subjects: | |
| Online Access: | Connect to the full text of this electronic book |
| Summary: | 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. |
|---|---|
| Item Description: | Electronic resource. |
| Physical Description: | 1 online resource (xii, 238 pages) : illustrations |
| Bibliography: | Includes bibliographical references and index. |
| ISBN: | 0470447710 (ebook) 9780470447710 (ebook) |
| DOI: | 10.1002/9780470447710 |