Finite Size Effects

 

• Introduction
• Motivation
• Previous Methods of Removing Finite Size Effects
• Analysis of e-e energy
  • Comparison of Hartree-Fock and LDA Results
  • Electron-Electron Interaction in More Detail
• New Proposed Energy Expression
  • Short range of Exchange-Correlation Hole
  • Use Interaction
  • Choices for the f function
• Tests on the Homogeneous Electron Gas
  • VMC Results
• Finite Size Effects in Inhomogeneous Solids
  • Electron-Ion and Ion-Ion Interactions
• Results for Silicon
  • VMC Results
  • HF Results
  • DMC Results
• Variance Minimisation with the New Interaction
• Conclusions