LiH Ground State Energy Estimation

Benchmark for computing the ground-state energy of lithium hydride (LiH) using the Variational Quantum Eigensolver. LiH is a standard test molecule for quantum chemistry on NISQ devices, requiring 6-12 qubits depending on the active space and basis set. The benchmark tests VQE accuracy against Full Configuration Interaction (FCI) results across a range of bond distances.[1]

  • Algorithm: Variational Quantum Eigensolver (VQE)
  • Category: chemistry
  • Qubits: 12
  • Framework: Qiskit Nature, PennyLane
  • Hardware: Various (IBM Quantum, simulators)
  • Reproducible: Yes
  • Published:
  • VQE
  • chemistry
  • lithium-hydride
  • ground-state
  • NISQ

What algorithm does LiH Ground State Energy Estimation use?

LiH Ground State Energy Estimation uses the Variational Quantum Eigensolver (VQE) algorithm, categorized under chemistry.

Frequently Asked Questions

What is the LiH Ground State Energy Estimation benchmark?

Benchmark for computing the ground-state energy of lithium hydride (LiH) using the Variational Quantum Eigensolver. LiH is a standard test molecule for quantum chemistry on NISQ devices, requiring 6-12 qubits depending on the active space and basis set. The benchmark tests VQE accuracy against Full Configuration Interaction (FCI) results across a range of bond distances.

Is LiH Ground State Energy Estimation reproducible?

Yes, this benchmark is reproducible.

Sources

  1. "Ground state property calculations of LiHn complexes using IBM Qiskit's quantum simulator", accessed 2026-03-19 — DOI
  2. "BenchQC: A Benchmarking Toolkit for Quantum Computation", accessed 2026-03-19 — arXiv