Multiconfiguration Dirac-Hartree-Fock MCDHF

All-electron (AE) multiconfiguration Dirac-Hartree-Fock (MCDHF) calculations. 

One further distinguishes ECPs by the kind of their adjustment, i.e., energy-consistent PPs (see Section 6.3.1) and shape-consistent PPs/MPs (see Section 6.3.2). Furthermore, ECPs are categorized by the size of their core, e.g., one differs between f-in-valence small-core [21,22] and f-in-core large-core PPs (LPP) [7-12] for the f elements. Finally, the accuracy of the underlying AE reference data determines the ECP type, e.g., for early actinides scalar-relativistic Wood-Boring (WB) [22] or relativistic multiconfiguration Dirac-Hartree-Fock (MCDHF) [23,24] small-core PPs (SPP) are available. 

As fully numerical Multiconfiguration Dirac-Hartree-Fock programs (MCDHF) [83-85] became available a rigorous approach was undertaken to systematically improve orbital spaces and the correlation treatment in hyperfine structure calculations. 

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