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562 B
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20 lines
562 B
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======================
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ao_two_e_erf_ints
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======================
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Here, all two-electron integrals (:math:`erf(\mu r_{12})/r_{12}`) are computed.
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As they have 4 indices and many are zero, they are stored in a map, as defined
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in :file:`utils/map_module.f90`.
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The main parameter of this module is :option:`ao_two_e_erf_ints mu_erf` which is the range-separation parameter.
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To fetch an |AO| integral, use the
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`get_ao_two_e_integral_erf(i,j,k,l,ao_integrals_erf_map)` function.
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The conventions are:
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* For |AO| integrals : (ij|kl) = (11|22) = <ik|jl> = <12|12>
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