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Extra info for Advances in Chemical Physics: Intermolecular Forces, Volume 12
However, the induction energy is given by 42 J. 0. HIRSCHFELDER AND W. J. MEATH and the dispersion energy is given by e. Resonance within One Molecule. Some atoms or molecules have degenerate states which are separated by the perturbation produced by a second different molecule. In such cases, there is a possiblity of resonance. In reference 1, p. 994, an example is given of an excited hydrogen atom in either the 2s or 2p state colliding with a proton. Under the influence of the proton’s electric field, the azimuthal quantum number of the hydrogen atom is no longer a good quantum number, while the magnetic quantum number remains a good quantum number.
Resonance between Like the interaction of two like atoms in different energy states. Thus, atom a is the same species as atom b, but q # q'. Then E , ~ , = E ~ , ,and there are two types of zeroth-order wave functions, both corresponding to the same zeroth-order energy. (j) - wA,,(i)B,(j)] The functions $, and $, themselves do not necessarily have gerade or ungerade symmetry. Rather what is meant is that if $, or t j u is properly antisymmetrized with respect to the exchange of electrons between the atoms a and b, then the resulting function has gerade or ungerade symmetry, respectively.
43 a. C. Diagonal Deviations from the Separation of Electronic and Nuclear Coordinates" (See Sec. 0 E'(v:) E'(V:) E'(Vt. 51The " diagonal " corrections for electronic-nuclear coupling are quite different from those for the ground-state calculation. 1 cm-' which is larger by an order of magnitude than the corresponding correction for the ground state and has the opposite sign. For this excited state of H,, the agreement of the Born-Oppenheimer results for the dissociation energy with experiment is not nearly as good as for the ground state; the adiabatic approximation gives an excellent result.
Advances in Chemical Physics: Intermolecular Forces, Volume 12
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