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License: MIT License
Gaussian backend library
License: MIT License
Use the permutation symmetry of the Coulomb matrix elements to reduce the number of integrals to evaluate. Look up which symmetries there are.
Looking at slide 29 in Helgaker's "Sostrup integrals"-presentation he discusses prescreening of the Coulomb integrals by the use of the Cauchy-Schwarz inequality. I believe we can use this in our code by first computing the "diagonal" Coulomb elements and then use these for prescreening of the off-diagonal terms.
We should (if possible) add functions computing the nuclear attractive potential in the 2D-Gaussian basis.
Implement the integrals for 3D-Gaussian basis elements.
It should be doable to compute the one-body integral elements between two Gaussians and a Gaussian as potential function.
Explore the combination of the differential operators and the multipole moment operators for use in orbital angular moment integral elements.
Test out usage of Rayon for parallel construction of matrix elements.
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