A hybrid MCSCF-VQE scheme, run on simulators, reproduces CCSD-level binding energies for water and metals on benzene and yields new binding energies for metals on coronene that diverge from DFT, but the coronene numbers lack high-level verification.
Inhomogeneous electron gas
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
physics.chem-ph 1years
2025 1verdicts
REJECT 1representative citing papers
citing papers explorer
-
Hybrid Quantum-Classical Simulations of Graphene Analogues: Adsorption Energetics Beyond DFT
A hybrid MCSCF-VQE scheme, run on simulators, reproduces CCSD-level binding energies for water and metals on benzene and yields new binding energies for metals on coronene that diverge from DFT, but the coronene numbers lack high-level verification.