Adaptive basis sets for practical quantum computing
International Journal of Quantum Chemistry.
TL;DR:
This work shows that the use of adaptive basis sets, in which exponents and contraction coefficients depend on molecular structure, provide an easy way to dramatically improve the accuracy of quantum chemical calculations without the need to increase the basis set size and thus the number of qubits utilized in quantum circuits.
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UN Sustainable Development Goal Categories
7. Affordable and Clean Energy
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