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quantum-mechanical ab-initio calculation of the properties of crystalline materials
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Reseña del libro "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.
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