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Adaptive basis sets for practical quantum computing

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1 Published in 2022 at "International Journal of Quantum Chemistry"

DOI: 10.1002/qua.27123

Abstract: Electronic structure calculations on small systems such as H$_2$, H$_2$O, LiH, and BeH$_2$ with chemical accuracy are still a challenge for the current generation of the noisy intermediate-scale quantum (NISQ) devices. One of the reasons… read more here.

Keywords: adaptive basis; basis sets; basis; minimal basis ... See more keywords