ENGLISH

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

By Davide Viterbo (auth.) , Professor Cesare Pisani (eds.)

Book information

Publisher
Springer-Verlag Berlin Heidelberg
Year
1996
ISBN
978-3-540-61645-0, 978-3-642-61478-1
DOI
10.1007/978-3-642-61478-1
Language
english
Format
PDF
Filesize
23 MB (23883420 bytes)
Series
Lecture Notes in Chemistry 67
Edition
1
Pages
332\330
Time added
2013-12-12 02:00:00
Physical Chemistry; Organic Chemistry

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.

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