ISBN: 3540672389
TITLE: Electronic Structure and Physical Properties of Solids
AUTHOR: Dreysse, Hugues (Ed.)
TOC:

Part I Ground and Excited-State Formalisms Developing the MTO Formalism
O. K. Andersen, T. Saha-Dasgupta, R. W. Tank, C. Arcangeli, O. Jepsen, G. Krier 3
From ASA Towards the Full Potential
J. Kollr, L. Vitos, H. L. Skriver 85
A Full-Potential LMTO Method Based on Smooth Hankel Functions
M. Methfessel, M. van Schilfgaarde, R. A. Casali 114
Full-Potential LMTO Total Energy and Force Calculations
J. M. Wills, O. Eriksson, M. Alouani, D. L. Price 148
Excited States Calculated by Means of the LMTO Method
M. Alouani, J. M. Wills 168
Part II Magnetic Properties
Fully Relativistic Band Structure Calculations for Magnetic Solids  Formalism and Application
H. Ebert 191
First Principles Theory of MagnetoCrystalline Anisotropy
O. Eriksson, J. Wills 247
On the Implementation of the Self-Interaction Corrected Local Spin Density Approximation for d- and f-Electron Systems
W. M. Temmerman, A. Svane, Z. Szotek, H. Winter, S. V. Beiden 286
Ab Initio Theory of the Interlayer Exchange Coupling
J. Kudrnovsk, V. Drchal, I. Turek, P. Bruno, P. Dederichs, P. Weinberger 313
Part III Disordered Alloys
Disordered Alloys and Their Surfaces: The Coherent Potential Approximation
I. Turek, J. Kudrnovsk, V. Drchal 349
Locally Self-Consistent Green's Function Method and Its Application in Theory of Random Alloys
I. A. Abrikosov, P. A. Korzhavyi, B. Johansson 379
Part IV Large-Scale Real-Space Calculations
Sparse Direct Methods: An Introduction
J. A. Scott 401
Real-Space Tight-Binding Approach to Magnetic Anisotropy: Application to Nickel Films on Copper
D. Spi sk and J. Hafner 416
Combining Real Space and Tight Binding Methods for Studying Large Metallic Systems
C. Cornea and D. Stoeffler 434
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