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23 MØLLER PLESSET PERTURBATION THEORY

Closed-shell Møller-Plesset perturbation theory up to full fourth order [MP4(SDTQ)] is part of the coupled-cluster program.

The commands MP2, MP3, MP4 perform the MP calculations up to the specified order (lower orders are included).

MP4;NOTRIPL; performs MP4(SDQ) calculations.

Normally, no further input is needed if the MPn card directly follows the corresponding HF-SCF. Otherwise, occupancies and orbitals can be specified as in the CI program. The resulting energies are stored in variables as explained in section 8.8.

Dual basis set calculations are possible for the closed-shell methods, see section 24.12.



Subsections

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