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21 lines
608 B
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21 lines
608 B
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======================
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mo_two_e_erf_ints
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======================
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Here, all two-electron integrals (:math:`erf({\mu}_{erf} * 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 range separation parameter :math:`{\mu}_{erf}` is the variable :option:`ao_two_e_erf_ints mu_erf`.
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To fetch an |MO| integral, use
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`get_mo_two_e_integral_erf(i,j,k,l,mo_integrals_map_erf)`
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The conventions are:
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* For |MO| integrals : <ij|kl> = <12|12>
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Be aware that it might not be the same conventions for |MO| and |AO| integrals.
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