Open wavefunction91 opened 1 year ago
Per discussion in https://github.com/wavefunction91/IntegratorXX/pull/27#discussion_r1257964596, the "canonical" implementation of the MK quadrature uses a Uniform Trapezoid base quadrature. However Lehtola, Marques J. Chem. Phys. 157, 174114 (2022) points out that accuracy of this scheme can be improved via using Gauss-Chebyshev (second kind) as the base quadrature.
Per discussion in https://github.com/wavefunction91/IntegratorXX/pull/27#discussion_r1257964596, the "canonical" implementation of the MK quadrature uses a Uniform Trapezoid base quadrature. However Lehtola, Marques J. Chem. Phys. 157, 174114 (2022) points out that accuracy of this scheme can be improved via using Gauss-Chebyshev (second kind) as the base quadrature.