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Sinc based quadrature #59

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susilehtola opened this issue Jul 31, 2023 · 0 comments
Open

Sinc based quadrature #59

susilehtola opened this issue Jul 31, 2023 · 0 comments
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enhancement New feature or request new-quadrature Adds a new quadrature rule

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@susilehtola
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Weber, Daul and Baltensperger discuss adaptive radial grids using sinc quadrature in Computer Physics Communications 163, 133 (2004). They also present equations for STOs for using Lindh's scheme from Theor Chem Acc 106, 178 (2001).

I don't know if this will be useful, but I am opening the ticket as a note.
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enhancement New feature or request new-quadrature Adds a new quadrature rule
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@susilehtola @wavefunction91