The Application of Wave Functions Containing Interelectron Coordinates Ii the

Cover The Application of Wave Functions Containing Interelectron Coordinates Ii the
The Application of Wave Functions Containing Interelectron Coordinates Ii the
Peter Walsh
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Otherwise the zero-order wave function will be used in its unsymmetrized form. One result Ol this is that the unperturbed hamlltonian vill not be symmetrical in all of the electrons. The antisymmetrization is discussed briefly in Appendix II, h. Uetermlnation of the b. . Ij The total unperturbed energy of the system depends on the choice of two arbitrary parameters, b. . And q. .. The latter are fixed, as has been indicated, by the asymptotic behavior of the vave function. The former con- stant...s are at our disposal and we choose them to minimize the effects of H' . The potential terms in our hamlltonian i i j ?t k jk are singular at the zeros of r. And r. .. Since the potential energy is com- parable to the kinetic energy, V cannot be thought of as a small perturbation. The introduction of the interelectron coordinates allows both the nuclear and the interelectron potentials to be taken into the unperturbed hamiltonian, H . The H given by Eq. (5-1) contains all of these potentials and allows their behavior at the singularities to be treated accurately.

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