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Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials
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Lecture Notes in Chemistry
Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials
Cesare Pisani
Science / Chemistry / Physical & Theoretical
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.
| Publication Date: | 18 November 1996 |
| Publisher: | Springer Berlin Heidelberg |
| Imprint: | Springer |
| ISBN-13: | 9783540616450 |
| Format: | Paperback softback |
| Page Count: | 332 |