Abstract

We overview our valence bond (VB) approach to the π-electron Pariser-Parr-Pople (PPP) model Hamiltonians referred to as the PPP-VB method. It is based on the concept of overlap enhanced atomic orbitals (OEAOs) that characterizes modern ab initio VB methods and employs the techniques afforded by the Clifford algebra unitary group approach (CAUGA) to carry out actual computations. We present a sample of previous results, as well as some new ones, to illustrate the ability of the PPP-VB method to provide a highly correlated description of the π-electron PPP model systems, while relying on conceptually very simple wave functions that involve only a few covalent structures.

Full Text
Published version (Free)

Talk to us

Join us for a 30 min session where you can share your feedback and ask us any queries you have

Schedule a call