Quantum-Mechanical Ab-initio Calculation of the Properties of Crystalline Materials

332 Seiten, Taschenbuch

Kurzbeschreibung des Verlags

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.

• Reihe: Lecture Notes in Chemistry
• ISBN: 9783540616450
• Sprache: Englisch
• Erscheinungsdatum: 18.11.1996
• Genre: Chemie/Physikalische Chemie
• Verlag: Springer Berlin
• Herausgegeben von: Cesare Pisani