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r12_fundamentals.F File Reference

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Modules

module  r12_fundamentals
 Radial fundamentals for Gaussian two-electron integrals. Entry m+1 stores order m. Private kernels provide unnormalized coefficients; the dispatcher returns their common multiplicative normalization separately. Gaussian-product attenuation and geometry prefactors belong to the caller.

Functions/Subroutines

subroutine, public r12_fundamentals::compute_r12_fundamentals (f, normalization, m_max, potential_type, rho, t, work, omega, cutoff_radius, scale_coulomb, scale_longrange, scale_gaussian)
 Compose radial kernels before applying their common normalization.