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##

23.7 Density-fitting MP2 (DF-MP2, RI-MP2)

`DF-MP2`,*options*

invokes the density fitted MP2 program. The present implementation works
only without symmetry.
`RI-MP2` is an alias for the command `DF-MP2`.

The following options can be specified:

`BASIS_MP2`=*basis*:
- Fitting basis set.
*basis* can either refer to
a basis set defined in a `BASIS` block, or to a default fitting basis set (only available
for correlation consistent basis sets). If a correlation consistent orbital basis set is
used, the corresponding MP2 fitting basis is generated by default. In all other cases, the fitting
basis must be defined.
`THRAO`=*value*:
- Screening threshold for 3-index integrals in the AO basis
`THRMO`=*value*:
- Screening threshold for 3-index integrals in the MO basis
`THROV`=*value*:
- Screening threshold for 2-index integrals of fitting basis.
`THRPROD`=*value*:
- Screening product threshold for first half transformation.
`SPARSE`=*value*:
- If Non-zero, use sparse algorithm in second-half transformation (default).

See section 15 for a more general description of density fitting. Expectation values and
gradients can also be computed with `DF-MP2`.

** Next:** 23.8 Spin-component scaled MP2
** Up:** 23 MØLLER PLESSET PERTURBATION
** Previous:** 23.6 CPHF for gradients,
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molpro@molpro.net 2018-01-22