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arXiv · 2006.13453

Computer-predicted ionization energy of carbon within 1 cm$^{-1}$ of the best experiment

Nike Dattani·Giovanni LiManni·David Feller·Jacek Koput
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Abstract

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.

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Nike Dattani, Giovanni LiManni, David Feller, Jacek Koput. 2020-06-24. Computer-predicted ionization energy of carbon within 1 cm$^{-1}$ of the best experiment. https://arxiv.org/abs/2006.13453

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