Title: Quantum-mechanical ab-initio calculation of the properties of crystalline materials
First published: 1996
Description: 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.
Subjects: Congresses, Crystals, Solid state physics, Quantum chemistry
LC classification: QC176.A1 S33 1994