Kernel ridge regression with Chebyshev polynomial local kernels estimates CBS limit energies from single minimal-basis calculations using a minimal CABS physical baseline.
Kraus, Basis Set Extrapolations for Density Functional The- ory, Journal of Chemical Theory and Computation16, 5712 (2020)
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Data-driven complete basis set limit estimates from a minimal auxiliary basis
Kernel ridge regression with Chebyshev polynomial local kernels estimates CBS limit energies from single minimal-basis calculations using a minimal CABS physical baseline.