C-2H-4

The 'C2H4' dataset/benchmark contains potential energy surfaces (PESs) for ethylene (C2H4) and is used to evaluate the performance of quantum algorithms in calculating precise PESs for non-adiabatic molecular dynamics simulations.

Papers using C-2H-4 (2)

Efficient Quantum Simulation of Non-Adiabatic Molecular Dynamics with Precise Electronic Structure2025 · 1 citesBeyond real: Alternative unitary cluster Jastrow models for molecular electronic structure calculations on near-term quantum computers2025 · 1 cites