H-3+

The 'H3+' dataset/benchmark contains potential energy surfaces for the H3+ molecular system and is used to evaluate the performance of quantum algorithms in calculating precise electronic structures for non-adiabatic molecular dynamics.

Papers using H-3+ (3)

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 citesQuantum Many-body Simulations from a Reinforcement-Learned Exponential Ansatz2025