Implement Lindh-Malmqvist-Gagliardi radial quadrature

wavefunction91 / IntegratorXX

Reusable DFT Grids for the Masses

BSD 3-Clause "New" or "Revised" License

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Implement Lindh-Malmqvist-Gagliardi radial quadrature #11

Open susilehtola opened 1 year ago

susilehtola commented 1 year ago

Lindh, Malmqvist and Gagliardi describe a radial quadrature rule for Gaussian basis sets in Theor. Chem. Acc. 106, 178 (2001). This would be nice to have as well.

susilehtola commented 11 months ago

Note also #59: Weber, Daul and Baltensperger discussed the STO extension of the Lindh et al scheme in Computer Physics Communications 163, 133 (2004).