Fig. 3: Architecture of the hybrid quantum-classical scheme introducing the DBBSC method to wave-function QC calculations.
From: Shortcut to chemically accurate quantum computing via density-based basis-set correction

The QPU workload can be either performed by quantum hardware or replaced by a GPU-accelerated quantum emulator. The input are the definition of the system and the basis set (standard basis sets or our SABS can be used). In Strategy 1, the QPU/GPU computes the expectation value of the standard Hamiltonian \(\langle \hat{H}\rangle\) and the non-self-consistent correlation basis-set correction and the HF basis-set correction are shifted to the CPU of the classical computer. In Strategy 2, the model includes a self-consistent basis-set correction potential which is iteratively optimized between QPU/GPU and CPU. The insets depict the effect of the basis-set corrections for the two strategies.