Quasi-particle Theory for Electronic Band Structure Calculation

The following sections are included:

• Introduction

• Equation of motion for Green's function

• The self-energy operator Σ in the approximation

• Considerations for the evaluation of Σ

• Reciprocal-space scheme for the evaluation of Σ

• Simple schemes for the evaluation of Σ

  • Static COHSEX Approximation

  • An extreme tight-binding polarizable-bond approach