Calculated Electronic Properties of Metals covers the significant advances in understanding of condensed systems containing many atoms.
This book is divided into five chapters that specifically present electronic property calculations based on three fundamental approximations, namely, the local density treatment of electronic exchange and correlation, the "muffin-tin" approximation, and the neglect of relativistic effects. These approximations limit the range of systems for which these calculations can be expected to be accurate to metals comprised of atoms possessing fewer that approximately 50 protons. A chapter focuses on the calculation of electron and state densities of numerous metals. The concluding chapter describes the results of spin-polarized energy-band calculations for iron, cobalt, and nickel.
This book will prove useful to chemists, researchers, and students.
Chapter I Introduction
1. Treatment of Exchange and Correlation
2. Density Functional Theory
Chapter II Calculations
1. Self-consistent Solid Calculations
2. Free Atom Calculation
3. Total Energy
4. Density of States
5. Susceptibility Enhancement
Chapter III Trends
Chapter IV Electron and State Densities
Chapter V Effects of Spin Polarization
1. Spin-polarized Calculations
2. General Description of Results and Trends
3. Detailed Calculations
- No. of pages:
- © Pergamon 1978
- 1st January 1978
- eBook ISBN: