The PPP model – a minimum viable parametrisation of conjugated chemistry for modern computing applications
Abstract
The semi-empirical Pariser–Parr–Pople (PPP) Hamiltonian is reviewed as a minimal model for the chemistry of conjugated π-electron systems. Its current applications and limitations are discussed, and we conjecture how using the PPP model in quantum computing could be mutually beneficial.
Fields of Study & Subjects
Synthesis and Properties of Aromatic Compounds
Advanced Chemical Physics Studies
Crystallography and molecular interactions
Publication details
- Journal / source
- Digital Discovery
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 5
- Issue
- 2
- Pages
- 482–496
- Publication date
- 1 January 2026
- Language
- EN