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

### From inside the book

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Page 394

A. G. Gaydon, Dissociation Energies, revised edition (1953): D, is corrected for

zero- point energy. ... The

dissociation energy, and electric dipole moment are considered in Section II.

A. G. Gaydon, Dissociation Energies, revised edition (1953): D, is corrected for

zero- point energy. ... The

**molecular energy**, equilibrium internuolear distance,dissociation energy, and electric dipole moment are considered in Section II.

Page 399

A Perturbation Theory of Iaoeleotronio

of CO BaBed on Nt 1. Electronic potential

wave function and the eleotronio

A Perturbation Theory of Iaoeleotronio

**Molecules**: CO Baaed on N, IT. Treatmentof CO BaBed on Nt 1. Electronic potential

**energy**curvet Let !PJ" and WT be thewave function and the eleotronio

**energy**for the lowest 1 state of N, which ...Page 405

The calculated

range of R and decreases too fast as R becomes larger. (See Tab. 2 and 3).

Hence the calculated

R ...

The calculated

**molecular energy**of CO is too low by 2.0 ~ 6.0 H in the givenrange of R and decreases too fast as R becomes larger. (See Tab. 2 and 3).

Hence the calculated

**molecular energy**does not give a minimum in the range ofR ...

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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