- Calculation of MP2 energies and/or MP2 gradients for RHF and UHF wave functions.
- The frozen core approximation (possibility to exclude low-lying orbitals from the MP2 treatment) is implemented only for MP2 energies.
- Exploitation of symmetry of all point groups.
- Can be used sequentially or parallel.
- Can be combined with the COSMO solvation model (see chapter 19 for details). (Presently restricted to sequential calculations.)

- Calculation of MP2 energies and/or gradients for RHF and UHF wave functions within the efficient RI-approximation (RI-MP2).
- The frozen core approximation is implemented for both RI-MP2 energies and gradients.
- RI-MP2 needs optimised auxiliary basis sets, which are available for all TURBOMOLE standard basis sets (SVP, TZVP, TZVPP, QZVPP) as well as for the (aug-)cc-p(wC)VXZ (X = D, T, Q, 5) basis sets series (for Al–Ar also for the (aug-)cc-p(wC)V(X+d)Z series).
- Exploitation of symmetry of all point groups.
- Can only be used for sequential calculations.
- Can be combined with the COSMO solvation model (see chapter 19 for details).

- Includes all of the above rimp2 functionalities.
- Runs sequentially and parallel (with MPI or OpenMP) and supports at the MP2 level all point groups and can in geometry optimizations and vibrational frequency calculations (with NumForce) combined with RI-JK-SCF for the Hartre-Fock reference calculation.
- Contains an implementation of explicitly correlated MP2-F12 methods
(presently restricted to energies and the C
_{1}point group). - Can for open-shell calculations be used with UHF and single-determinant high-spin ROHF reference wavefunctions. (ROHF-MP2 presently limited to energies.)
- Energies and gradients for the spin-component scaled SCS- and SOS-MP2
approaches, including a Laplace-transformed implementation of SOS-MP2 with
(
^{4}) scaling computation costs. - Static polarizabilities (currently restricted to closed-shell reference wavefunctions and the sequential and SMP versions; cannot yet be combined with spin-component scaling), see Chapter 10.5 for a description of the input
- See Chapter 10 for further details.

- For calculations with mpgrad:

Semi-direct MP2 Gradient Evaluation on Workstation Computers: The MPGRAD Program. F. Haase and R. Ahlrichs; J. Comp. Chem. 14, 907 (1993). - For calculations with rimp2:

RI-MP2: first derivatives and global consistency. F. Weigend and M. Häser; Theor. Chem. Acc. 97, 331 (1997). - For calculations with ricc2:

CC2 excitation energy calculations on large molecules using the resolution of the identity approximation. C. Hättig and F. Weigend; - for MPI parallel calculations with ricc2 in addition:

Distributed memory parallel implementation of energies and gradients for second-order Møller-Plesset perturbation theory with the resolution-of-the-identity approximation. Christof Hättig, Arnim Hellweg, Andreas Köhn, Phys. Chem. Chem. Phys. 8, 1159-1169, (2006). - for MP2-F12 calculations in addition:

The MP2-F12 Method in the TURBOMOLE Programm Package. Rafal A. Bachorz, Florian A. Bischoff, Andreas Glöß, Christof Hättig, Sebastian Höfener, Wim Klopper, David P. Tew, J. Comput. Chem. 32, 2492–2513 (2011). - for (
^{4})-scaling LT-SOS-MP2 calculations:

Scaled opposite-spin CC2 for ground and excited states with fourth order scaling computational costs. Nina O. C. Winter, Christof Hättig, J. Chem. Phys., 134, 184101 (2011) and Scaled opposite-spin second order Møller–Plesset correlation energy: An economical electronic structure method. Y., Jung, R.C. Lochan, A.D. Dutoi, and M. Head-Gordon, J. Chem. Phys., 121, 9793 (2004). - for SCS-MP2 calculations:

S. Grimme, J. Chem. Phys. 118 (2003) 9095. - for RI-MP2 polarizabilities:

Large scale polarizability calculations using the approximate coupled cluster model CC2 and MP2 combined with the resolution-of-the identity approximation. Daniel H. Friese, Nina O. C. Winter, Patrick Balzerowski, Raffael Schwan, Christof Hättig, J. Chem. Phys., 136, 174106 (2012).