The PPP model – a minimum viable parametrisation of conjugated chemistry for modern computing applications
Marcel David Fabian, Nina Glaser, Gemma Clare Solomon
原始摘要(英文原文)· Original 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.