2020/06/24 by Nike Dattani, Giovanni LiManni, Dattani, Nike +5 · 1 citation
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paper · pdf · doi:10.48550/arxiv.2006.13453
Supplementary Material: https://github.com/HPQC-LABS/Carbon/blob/master/extra/supp.pdf This paper was completed mainly in 2017 and has been available on GitHub since 2018: https://github.com/HPQC-LABS/Carbon
arxiv created 2020/06/24 · openalex publication_date 2020/06/24 · arxiv updated 2020/06/25 · openalex created_date 2020/07/02 · openalex updated_date 2026/07/28
We show that we can predict the first ionization energy of the carbon atom to within 0.872 cm-1 of the experimental value. This is an improvement of more than a factor of 6.5 over the preceding best prediction in [Phys. Rev. A 81, 022503], and opens the door to achieving sub-cm-1 accuracy for ab-initio predictions in larger elements of the periodic table.