Lecture Notes in Chemistry: Quantum-Mechanical Ab-Initio Calculation of the Properties of Crystalline Materials (Paperback)

Cesare Pisani
Springer
 9783540616450
3-540-61645-4

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.

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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.