SQD with LUCJ (and a new LCNot-UCCSD variant) on IQM Sirius recovers chemically accurate energies, 1D/2D PES, and DMET-embedded ligand/amantadine results versus FCI/CASCI references.
Relativistic quantum chemistry
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Towards Chemically Accurate and Scalable Quantum Simulations on IQM Quantum Hardware: A Quantum-HPC Hybrid Approach
SQD with LUCJ (and a new LCNot-UCCSD variant) on IQM Sirius recovers chemically accurate energies, 1D/2D PES, and DMET-embedded ligand/amantadine results versus FCI/CASCI references.