Angular grids from Peels and Knizia

[susilehtola]

Mieke Peels' PhD thesis states that they have obtained new angular integration grids

The new integration grids have been generated to integrate polynomials, and therefore spherical harmonics, up through order 𝐿 = 105. Many of the new grids contain fewer points than the Lebedev grids. None of the grids contain negative weights, and the weight spreads are generally smaller than for the Lebedev grids.

The thesis also states that

In the future, grid generators containing optimized seed points will be released open source as part of the angular integration grid generator (aigg) program, which would allow for the new grids to be implemented in existing quantum chemistry software packages.

I have asked Gerald Knizia about these grids in October 2022, and in March 2023, but have not received a reply. I did contact Peels as well, who said I should be in touch with Knizia about the code.

My assumption is that Gerald is simply too busy, so if someone runs into him at a conference, please ask about this.