wavefunction91 / IntegratorXX

Reusable DFT Grids for the Masses
BSD 3-Clause "New" or "Revised" License
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Gauss-Maxwell quadrature #76

Open susilehtola opened 1 year ago

susilehtola commented 1 year ago

Shizgal, Ho, and Yang propose a Gauss-Maxwell quadrature in J. Math. Chem. 55, 413 (2017).

It is not immediately obvious what this scheme actually is.

addendum: it looks like a much better reference for the actual nodes and weights is J. Comput. Phys. 41, 309 (1981)