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The paper reviews central results of quasiparticle calculations in the GW approximation. You can download the review as a uuencoded postscript file (1.3 MB), save it in ``review.uu'' and type ``csh review.uu'' to obtain a printable form of the paper. To give you an idea about what you will find I have listed the table of contents below.

I. Many-Body Effects in Computational Solid State Physics
1. Introduction and Overview
2. Quasiparticles
3. Kohn-Sham Particles

II. Quasiparticle Calculations in the GW Approximation
4. The Quasiparticle Equation
5. The Hedin Equations and the GWA
6. Separation of the Self-Energy
7. Determination of the Single-Particle Green Function
8. Determination of the Dynamically Screened Interaction
a. Model Dielectric Functions
b. Plasmon-Pole Models
9. Early Quasiparticle Calculations
a. Static COHSEX Calculations
b. Excitonic Effects
c. Local Approach
d. Quasiparticle Local Density Approximation (QPLDA)
10. Local-Field Effects and the Nonlocality of the Self-Energy
a. Local-Fields
b. Nonlocality of the Self-Energy
11. Energy Dependence of the Self-Energy
12. Core-Polarization Effects
a. Core-Polarization Potentials
b. Explicit Treatment of Core Electrons
13. Self-Consistency
14. Vertex Corrections

III. GWA Calculations: Numerical Considerations
15. Different Implementations of the GWA
a. Reciprocal-Space Approach
a.1 Plane Waves
a.2 Local-Orbital Basis Sets
b. Real-Space/Imaginary-Time Approach
b.1 The Green Function
b.2 The Independent-Particle Polarizability
16. Plane Waves: Numerical Details
a. Use of Symmetry
b. Integration of the Coulomb Singularity
c. Convergence
d. Choice of Pseudopotentials and Plasmon-Pole Models
e. Object Orientation
f. Efficiency
17. Parallel GWA Calculations
a. Reciprocal-Space Approach
b. Real-Space/Imaginary-Time Approach
18. GWA Calculations for Five Prototypical Semiconductors
a. Silicon
b. Germanium and Gallium Arsenide
c. Silicon Carbide and Gallium Nitride

IV. Semiconductors and Insulators
19. Bulk
a. Band-Gap Narrowing in Si
b. Transition-Metal Oxides
c. C₆₀ and Related Systems
20. Superlattices - Interfaces - Schottky Barriers
a. Superlattices
b. Interfaces
c. Schottky Barriers
21. Surfaces
22. Defects
23. Pressure
24. Excitons
25. Atoms and Molecules
a. Atoms
b. Molecules

V. Metals
26. Bulk
a. Core-Valence Exchange
b. Alkali Metals
c. d and f Electron Metals
27. Clusters
28. Surfaces

VI. GWA Calculations and Optical Response
29. Overestimation of Optical Constants within DFT
30. The ``Scissors Operator'' and its Limitations
31. Local-Field Effects in Optical Response
a. Definitions and Gauge
b. Numerical Results
32. Density-Polarization Functional Theory
a. Divergence of K_xc
b. Real materials

VII. Excited States within Density Functional Theory
33. Functionals Based on Ground-State Densities
34. Functionals Based on Excited-State Densities
35. Time-Dependent Density Functional Theory
36. Monte Carlo Calculations

Appendix A: Density Functional Theory
1. Universal Density Functionals
2. The Kohn-Sham System
3. The Band-Gap Discontinuity
4. The Exchange-Correlation Hole
5. Coupling-Constant Averages
6. Local Approximations

Previous Review of Quasiparticle Calculations Materials Science Home

To cite this page:
Materials Science: Review of Quasiparticle Calculations: Overview
<http://www.physics.ohio-state.edu/~aulbur/gw/review0.html>