The Electron Density: A Fidelity Witness for Quantum Computation

Description

Electron densities calculated using physical (superconducting qubits) and simulated quantum computers for the hydrogen molecule (H2), lithium hydride (LiH), di-lithium (Li2), and hydrogen cyanide (HCN). Additionally, the reduced one-particle density matrix (1-RDM) and results of topological analysis for the mentioned molecules. Calculations on physical quantum hardware were performed on Särimner, a quantum processor with three superconducting qubits. Simulations of quantum computers were performed with Qiskit.

Resources

Name Format Description Link
0 http://data.europa.eu/88u/dataset/https-doi-org-10-5878-0n2y-dp56

Tags

  • beräkningskemi
  • chalmers-university-of-technology
  • quantum-computers
  • computational-chemistry
  • electronic-structure
  • kvantdatorer

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