Elements of irreducible tensorial matrices generated by finite group with applications to ligand field Hamiltonians (Q1360602)

Finite symmetry groups are used to generate \(d\)-type ligand-field Hamiltonians. The irreducible representations of the involved group are employed to construct tensor operators of definite symmetry. Starting from a reference matrix, by elegant group theoretical methods the Hamiltonian is derived. This relation is substantial more efficient than previous techniques for evaluating matrix elements of octahedral and tetragonal \(d\)-type ligand-field Hamiltonians.