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Selection of Pm and P, model spaces

A major advantage of the intermediate Hamiltonian approach is the flexibility in selecting the model space. This has been a major problem in applying the Fock-space scheme, as described at the beginning of this section. While in the Fock-space coupled cluster method one may feel lucky to find any partitioning of the function space into P and Q with convergent CC iterations, the intermediate Hamiltonian method makes it possible for the first time to vary the model space systematically and study the effect upon calculated properties. An example is given in Table 3, which shows the dependence of the calculated electron affinity of Cs on the model spaces Pm and Pi [55]. [Pg.92]

Electron affinity of Cs with different model spaces (meV) [55]. The experimental value is 472 meV (Ref. [56]). [Pg.93]




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