Two Applications of Perturbation Theory in Molecular Quantum Mechanics |
Contents
GENERAL THEORY | 8 |
FIRSTORDER COULOMBIC INTERACTION OF IWO ATOMS | 34 |
A QuadrupoleQuadrupole Interaction for Extreme | 55 |
15 other sections not shown
Common terms and phrases
apply approximation arising assume atomic spin-orbit splitting atoms becomes calculation CHANG charge Chem coefficients compared configuration considered correct corresponding Coulombic interaction coupling defined detail determinant diagonal dipole discussed dispersion dissociation distance effect electronic energy curves example expansion expression first-order first-order energy forces give given ground Hamiltonian Hartree-Fock hence Hirschfelder important inter interatomic interest intermediate coupling internuclear leading term levels long-range magnetic interaction energy matrix elements means method moderately molecular molecular energy molecules negative noted obtain one-electron operator orbital Phys potential power series present properties quadrupole quadrupole-quadrupole interaction energy QUANTUM MECHANICS quantum numbers range reduced reference relativistic represents scheme separation shown TABLE theorem University values vanish variational wave functions wavefunction written zero zeroth-order wave functions