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| .. | ||
| ao_bi_integrals.irp.f | ||
| ao_bielec_integrals_in_map_slave.irp.f | ||
| core_quantities.irp.f | ||
| EZFIO.cfg | ||
| gauss_legendre.irp.f | ||
| integrals_3_index.irp.f | ||
| map_integrals.irp.f | ||
| mo_bi_integrals.irp.f | ||
| NEED | ||
| q_package.ezfio_config | ||
| read_write.irp.f | ||
| README.rst | ||
================
Integrals_Bielec
================
Here, all two-electron integrals (:math:`1/r_{12}`) are computed. As they have
4 indices and many are zero, they are stored in a map, as defined in
``Utils/map_module.f90``. To fetch an AO integral, use the
``get_ao_bielec_integral(i,j,k,l,ao_integrals_map)`` function, and to fetch and
MO integral, use ``get_mo_bielec_integral(i,j,k,l,mo_integrals_map)`` or
``mo_bielec_integral(i,j,k,l)``.
The conventions are:
* For AO integrals : (ik|jl) = (11|22)
* For MO integrals : <ij|kl> = <12|12>