Pseudopotential methods in condensed matter applications

Computer Physics Reports

Volumn 9, Issue 3, 1989, Pages 115-197

  Pickett, Warren E ^a  

^a NAVAL RESEARCH LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 33646638059     PISSN: 01677977     EISSN: None     Source Type: Journal    
DOI: 10.1016/0167-7977(89)90002-6     Document Type: Review

References (342)

1. Energy as a functional of the density matrix
2. Ab Initio Effective Potentials for Use in Molecular Calculations
3. Norm-Conserving Pseudopotentials
4. Self-Consistent Pseudopotential for Si
5. Self-Consistent Pseudopotential Calculations on Si(111) Unreconstructed and (2×1) Reconstructed Surfaces
6. Chemically Motivated Pseudopotential for Sodium
7. A Note on the Quantum-Mechanical Perturbation Theory
8. An algorithm for the machine calculation of complex Fourier series
9. Theory and method for accelerating the convergence of self-consistent electronic structure calculations
10. Iterative Procedures for Nonlinear Integral Equations
11. A class of methods for solving nonlinear simultaneous equations
12. New self-consistent approach to the electronic structure of localized defects in solids
13. A Quantum Mechanical Investigation of the Cohesive Forces of Metallic Copper
14. Atomic structure and ordering in semiconductor alloys
15. The electronic structure of solid surfaces
16. The pseudopotential panacea
17. Pseudopotential surface and interface calculations
18. Self-Consistent Electronic Structure of Solid Surfaces
19. Surface States and Surface Bonds of Si(111)
20. The Si (100) surface: A theoretical study of the unreconstructed surface
21. The Si (100) surface. II. A theoretical study of the relaxed surface
22. Si(100) Surface Reconstruction: Spectroscopic Selection of a Structural Model
23. GaAs(100): Its spectrum, effective charge, and reconstruction patterns
24. Abstract: Step-dependent surface states on Si (111)
25. Abstract: The (110) surface of GaAs
26. Theoretical calculations of heterojunction discontinuities in the Si/Ge system
27. Theoretical investigation of hydrogen chemisorption on Ga-containing III–V compounds
28. Theoretical calculations of semiconductor heterojunction discontinuities
29. Abstract: Electronic structure of the (100) InAs–GaSb superlattice
30. Theoretical study of Si/Ge interfaces
31. A pseudopotential approach to the electronic structure of dilute transitional and noble metal impurity systems
32. Resonance Orbital, Off-Resonance Orbital and Pseudo-Greenian
33. Ab initiocalculation of force constants and equilibrium geometries in polyatomic molecules
34. Superconductivity and Phase Transitions in Compressed Si to 45 GPa
35. Dielectric band structure of solids
36. A local density theory for dynamical correlation corrections to single particle excitations in semiconductors
37. Dynamical correlation corrections to band-edge discontinuities in Si/GaP superlattices
38. Effects on vibrational and electronic properties of removing hydrogen atoms in hydrogenated amorphous silicon
39. Lattice Defects in Semiconductors: Towards a Finite-Temperature Theory
40. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis