Abstract
The generalized Foldy–Wouthuysen (GFW) transformation was
proposed as a generic form that unifies four types of transformations
in relativistic two-component methods: unnormalized GFW(UN), and
normalized form 1, form 2, and form 3 (GFW(N1), GFW(N2), and
GFW(N3)). The GFW transformation covers a wide range of
transformations beyond the simple unitary transformation of the Dirac
Hamiltonian, allowing for the systematic classification of all
existing two-component methods. New two-component methods were also
systematically derived based on the GFW transformation. These various
two-component methods were applied to hydrogen-like and helium-like
ions. Numerical errors in energy were evaluated and classified into
four types: the one-electron Hamiltonian approximation, the
two-electron operator approximation, the newly defined "picture
difference error (PDE)," and the error in determining the
transformation, and errors in multi-electron systems were discussed
based on this classification.