## The irreducible tensor method for molecular symmetry groups |

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### Contents

Introduction | 1 |

for centrosymmetric octahedral systems 97 11 3 Secondorder spinorbit | 8 |

ments 9 24 Symmetry of the coupling coefficients 9 2 5 V coefficients | 10 |

Copyright | |

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### Common terms and phrases

a b c d e f abap abcy antisymmetrized Appendix atomic orbitals axis ba'fia calculated Chapter coefficient of fractional columns configurations coupling coefficients coupling scheme define derived dihedral group direct product discussed double tensor operator eigenstates electron example follows from Eq formula fractional parentage give Griffith 26 Hence independent invariant irreducible product irreducible representation kets and bras left-hand side molecular symmetry multiplied n-electron systems non-zero notation obtain octahedral group odd permutation one-electron operator orbitals orthogonal orthogonal matrix orthonormal phase recoupling reduced matrix elements representation of degree respectively right-hand side rotation group Section set of functions sets of kets ShM6 simple simplified space functions span spin functions spin-independent operator spin-orbit coupling energy spinor group symmetry groups tabulated Tanabe tions transforming trigonal Tt E Tt Tt Tt two-electron systems values vectors Wigner write zero unless