Some Comments on Orbital Indexing

C. David Sherrill

Center for Computational Quantum Chemistry

March 1995

Contents

     Introduction

     Absolute vs. Relative Numbering

     Pitzer Ordering

     Activity Ordering

     Spin Orbitals vs. Molecular Orbitals

     One-electron Integrals and the ioff Array

     Two-electron Integrals

     Conclusions 

---