Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials
A number of general-purpose, reasonably accurate and well-tested ab-initio codes for crystals are discussed in this book. The aim is to expand competence of their application in material sciences and solid-state physics. The book addresses particularly readers with a general knowledge in quantum chemistry and intends to give a deeper insight into the special algorithms and computational techniques in ab-initio computer codes for crystals. Three different programs which are available to all interested potential users on request are presented.
| ISBN: | 9783540616450 |
|---|---|
| Sprache: | Englisch |
| Seitenzahl: | 332 |
| Produktart: | Kartoniert / Broschiert |
| Herausgeber: | Pisani, Cesare |
| Verlag: | Springer Berlin |
| Veröffentlicht: | 18.11.1996 |
| Schlagworte: | Crystalline Materials Festkörperphysik Kristalline Stoffe Materialwissenschaften Quantenmechanik Quantum Mechanics Solid State chemistry computational chemistry dynamics |
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