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Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials [electronic resource] /
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.
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| Main Authors: | , |
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| Format: | Texto biblioteca |
| Language: | eng |
| Published: |
Berlin, Heidelberg : Springer Berlin Heidelberg,
1996
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| Subjects: | Chemistry., Organic chemistry., Physical chemistry., Physical Chemistry., Organic Chemistry., |
| Online Access: | http://dx.doi.org/10.1007/978-3-642-61478-1 |
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