Point symmetries in the Hartree-Fock approach: Symmetry-breaking schemes

Abstract

We analyze breaking of symmetries that belong to the double point group D2h(TD) (three mutually perpendicular symmetry axes of the second order, inversion, and time reversal). Subgroup structure of the D2h(TD) group indicates that there can be as much as 28 physically different, broken-symmetry mean-field schemes --- starting with solutions obeying all the symmetries of the D2h(TD) group, through 26 generic schemes in which only a non-trivial subgroup of D2h(TD) is conserved, down to solutions that break all of the D2h(TD) symmetries. Choices of single-particle bases and the corresponding structures of single-particle hermitian operators are discussed for several subgroups of D2h(TD).