Many-body perturbation theory general structure

The purpose of the present review is threefold Firstly, we want to address the formal relationship between the density-functional effective one-particle potential and the non-local, energy-dependegt self-energy as derived from the many-body perturbation theory j. jthis we elaborate in sec. II on recently introduced results In particular, the general structure of many-body... 

In general, second-order Moller-Plesset perturbation theory (a specific case of second-order many-body perturbation theory) is the workhorse of electronic structure techniques for weakly bound systems because the method tends to provide a reliable description of a wide range of weak interactions. For most hydrogen-bonding scenarios, MP2 energetics are extremely accurate and nearly identical to those from CCSD(T) computations with the same basis set. In fact, a recent study revealed that MP2 interaction energies obtained with an appropriate triple- basis set agree favorably with CCSD(T) CBS... 

It was seen in Section 5.3 that to determine the QP band structures of a polymeric chain one must use a size-consistent method to determine the major part of the correlation [many-body perturbation theory (MBPT) in the Moller-Plesset partitioning, coupled-cluster theory, etc.]. Suhai, in his QP band-structure calculation on polyacetylenes and polydiace-tylenes, used second-order (MP/2) Moller-Plesset MBPT. For polydiacetylenes he obtained 5.7 eV as first ionization potential (using the generalized Koopmans theorem) for the PTS structure (see Figure 8.1), in reasonable agreement with experiment (A = 5.5 0.1 while the HF value (the simple Koopmans theorem) is 6.8 eV.< > For the TCDU diacetylene structure the theoretical value is 5.0 eV (HF value, 6.2 eV). Unfortunately, there is no reliable experimental ionization-potential value available for the TCDU structure of polydiacetylene. 

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