Quantum-mechanical ab-initio calculation of the properties of crystalline materials
By: C. Pisani, editor.
Contributors: Pisani, C.
Series: Lectures notes in chemistry ;; 67
Publisher: Springer-Verlag
Published: 1996
Place of publication: Berlin; New York
Language: eng
Number of pages: 327
Subjects: Solid state physics -- Congresses; Crystals -- Congresses; Quantum chemistry -- Congresses
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.
Notes: Includes bibliographical references and index.
Fourth School of Computational Chemistry of the Italian Chemical Society, held in Torino on 19-24 September 1994.--Forward