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Recent developments and applications of modern density functional theory /
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 pr...
| Clasificación: | Libro Electrónico |
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| Otros Autores: | |
| Formato: | Electrónico eBook |
| Idioma: | Inglés |
| Publicado: |
Amsterdam ; New York :
Elsevier,
1996.
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| Colección: | Theoretical and computational chemistry ;
4. |
| Temas: | |
| Acceso en línea: | Texto completo Texto completo |
| Sumario: | 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. |
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| Descripción Física: | 1 online resource (xxiv, 838 pages) : illustrations |
| Bibliografía: | Includes bibliographical references and index. |
| ISBN: | 9780444824042 0444824049 9780080540399 0080540392 |