Quantum Mechanical Ab Initio Calculation Of The Properties Of Crystalline Materials
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Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials
Author | : Cesare Pisani |
Publisher | : Springer Science & Business Media |
Total Pages | : 331 |
Release | : 2012-12-06 |
Genre | : Science |
ISBN | : 3642614787 |
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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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