Contracted SOCI

Effective Hamiltonian-based contracted SOCI methods (CI /SO)... 

CI /SO effective hamiltonian-based contracted SOCI methods CI/SO contracted SOCI... 

As in the case of NpOj, no experiment was available to compare this calculations with. As can be seen from Table 8, the 23 lowest fine-structure states arise from a limited number of A-S states. This calculation shows that it is in principle possible for some simple actinide molecules to use a contracted CI /SO method. But it is worthwhile to note that it would have been much easier to use an adapted SOCI method, namely a DGCP method which includes automatically all determinants coupled with the states of interest (see section 2.2.5). 

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