Introduction to computer simulations of molecules and condensed matter -- Quantum chemistry methods and density-functional theory -- Pseudopotentials, full potential, and basis sets -- Many-body Green function theory and the GTV approximation -- Molecular dynamics -- Extension of molecular dynamic
Electronic Structure, Dynamics, and Quantum Structural Properties of Condensed Matter
β Scribed by Volker Heine (auth.), Jozef T. Devreese, Piet Van Camp (eds.)
- Publisher
- Springer US
- Year
- 1985
- Tongue
- English
- Leaves
- 591
- Edition
- 1
- Category
- Library
No coin nor oath required. For personal study only.
β¦ Synopsis
The 1984 Advanced Study Institute on "Electronic Structure, Dynamics and Quantum Structural Properties of Condensed Matter" took place at the Corsendonk Conference Center, close to the City of Antwerpen, from July 16 till 27, 1984. This NATO Advanced Study Institute was motivated by the research in my Institute, where, in 1971, a project was started on "ab-initio" phonon calculations in Silicon. I~ is my pleasure to thank several instances and people who made this ASI possible. First of all, the sponsor of the Institute, the NATO Scientific Committee. Next, the co-sponsors: Agfa-Gevaert, Bell Telephone Mfg. Co. N.V., C & A, Esso BelgiumΒ·, CDC Belgium, Janssens Pharmaceutica, Kredietbank and the Scientific Office of the U.S. Army. Special thanks are due to Dr. P. Van Camp and Drs. H. Nachtegaele, who, over several months, prepared the practical aspects of the ASI with the secretarial help of Mrs. R.-M. Vandekerkhof. I also like to. thank Mrs. M. Cuyvers who prepared and organized the subject and material index and Mrs. H. Evans for typing-assistΒ ance. I express particular gratitude to Mrs. F. Nedee, who, like in 1981 and 1982, has put the magnificent Corsendonk Conference Center at our disposal and to Mr. D. Van Der Brempt, Director of the Corsendonk Conference Center, for the efficient way in which he and his staff took care of the practical organization at the Conference Center.
β¦ Table of Contents
Front Matter....Pages i-xii
Computation of Electronic Structure: Its Role in the Development of Solid State Physics....Pages 1-5
Front Matter....Pages 7-7
Basic Concepts in Dielectric Response and Pseudopotentials....Pages 9-112
Exchange β Correlation Potential for the Quasi-Particle Bloch States of a Semiconductor....Pages 113-156
Ab-Initio Calculation of the Phonon Frequencies in Covalent Semiconductors Using the Dielectric Screening Method....Pages 157-172
Current Ideas and Methods for Calculation of Ground State Properties of Solids....Pages 175-225
Recent Results in Semiconductor Dynamics by Ab Initio βDirectβ Approach....Pages 227-312
Stress: Concepts and Applications....Pages 313-333
Pseudopotentials and Total Energy Calculations: Applications to Crystal Stability, Vibrational Properties, Phase Transformations, and Surface Structures....Pages 335-398
Front Matter....Pages 399-399
Surface Phonon Calculations in Metals and Comparison with Experimental Techniques....Pages 401-449
Intervalley Electron-Phonon and Hole-Phonon Interactions in Semiconductors: Experiment and Theory....Pages 451-493
Nonlinear Electronic and Dynamical Response of Solids in the Ultrashort Time Domain....Pages 495-518
Front Matter....Pages 519-519
Molecular-Dynamic Simulations of Many-Particle Systems: New Faces on Old Problems....Pages 521-563
Back Matter....Pages 565-591
β¦ Subjects
Condensed Matter Physics; Characterization and Evaluation of Materials
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