(3) |

It is also possible to use geminals with different exponents for core-core and core-valence calculation [see
Mol. Phys. **109**, 407 (2011)] In this case the exponents are
specified as

`gem_beta=`
`gem_beta=`

The smallest value is used for valence correlation, the second-smallest for core-valence and the largest for
core-core pairs. If only 2 values are given, core-core and core-valence pairs are treated with the same exponent.
Note that the `core` directive is usually needed to include correlation of inner-shell orbitals.

In addition, also linear R12-methods () are available (DF-MP2-R12 and DF-LMP2-R12). However, these are no longer recommended since the non-linear correlation factor yields much better accuracy, numerical stability and convergence with respect to the AO, DF and RI basis sets.

manual quickstart instguide update basis

molpro@molpro.net 2017-12-12