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◆ Digital Discovery2026-01-01· Conjugated system

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.
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The PPP model – a minimum viable parametrisation of conjugated chemistry for modern computing applications — 科研速览 Science Skim