Improving the Accuracy of the Variational Quantum Eigensolver for Molecular Systems by the Explicitly-Correlated Perturbative [2]R12-Correction

Phys. Chem. Chem. Phys., 2022, Accepted Manuscript DOI: 10.1039/D2CP00247G, PaperPhilipp Schleich, Jakob Kottmann, Alan Aspuru-Guzik We provide an integration of the universal, perturbative explicitly correlated [2]R12-correction in the context of the Variational Quantum Eigensolver (VQE). This approach is able to increase the accuracy of the... The content of this RSS Feed (c) The Royal Society of Chemistry

Source: RSC - Phys. Chem. Chem. Phys. latest articles - May 19, 2022 Category: Chemistry Authors: Philipp Schleich Source Type: research