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Spherical to Cartesian coordinates transformation for solid harmonics revisited: Construction of the Hartree
Chiara Ribaldone1, Jacques Kontak Desmarais1
1Dipartimento di Chimica, University of Torino, via Giuria 5, 10125 Torino, Italy.
None:
Spherical harmonic Gaussian-type orbitals and Slater functions can be expressed using spherical coordinates or linear combinations of the appropriate Cartesian functions. General expressions for the transformation coefficients between the two representations are provided. Values for the transformation coefficients are tabulated up to the quantum number ℓ = 10. The formula is applied to construct the Hartree potential by an arbitrary-order multipole expansion.
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