The Journal of Chemical Physics · 1961 · 33 citations · 4 references
Natural SciencesChemistryPhysicsCondensed Matter PhysicsCrystal StructureQuantum ChemistryAb Initio MethodsAntiferromagnetismCrystal SymmetryMolecular SymmetryPoint GroupsSpace GroupsIcosahedral SymmetryMagnetic Point GroupsMagnetic Space GroupsMolecular Symmetry In Quantum ChemistryTriplet States
Eigenfunctions of J2 for J=0, ½, 1···8, have been obtained and tabulated which are symmetrized according to the icosahedral group and the group C3v, in terms of eigenfunctions of J2 and Jz, referred to a fivefold axis of rotation as the z axis. The functions are symmetrized according to C3v in such a way that the symmetry operation of a 2π/3 rotation is represented by a diagonal matrix. The results have been applied to calculate the anisotropic magnetic splitting factors for the doublet states arising from the above symmetry.
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