## Two Applications of Perturbation Theory in Molecular Quantum Mechanics |

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### Contents

GENERAL THEORY | 8 |

FIRSTORDER COULOMEIC INTERACTION OF TWO ATOMS | 34 |

B FirstOrder Coulombic Energy in General | 58 |

14 other sections not shown

### Common terms and phrases

apply atomic orbitals atomic spin-orbit splitting atomic units atomic wavefunctions atoms in degenerate Chem Clebsch-Gordan coefficients considered Coulombic interaction energy coupling is applicable coupling scheme define the functions degenerate perturbation theory diagonal Diatomic Molecules dispersion energy dissociation energy eigenfunctions electronic energy energy and dipole expansion first-order Coulombic interaction first-order energy first-order interaction first-order perturbation given ground terms Hamiltonian Hartree-Fock hence higher multipole interactions Hirschfelder homonuclear molecule incomplete shell integral interacting atoms intermediate coupling intermolecular forces internuclear separation ionization potential isoelectronic leading term long-range interatomic forces magnetic interaction energy magnetic quantum Meath molecular energy molecular wavefunctions multipole expansion negative non-resonant non-vanishing obtain one-electron orbital order of magnitude Phys polarizabilities power series predissociation data quadrupole quadrupole-quadrupole interaction energy quantum numbers reduced matrix reduced matrix elements relativistic second-order energy secular determinant secular equation spin symmetry unlike atoms values vanish Wigner-Eckart theorem Wt oo zero zeroth-order wavefunctions