Abstract
The effective Hamiltonian (4.14.1) for many-electron atoms and molecules is
where h i is the one-electron Dirac Hamiltonian for a bare nucleus for electron i and g ij = 1/R ij + g B(R ij ) represents the interaction energy of electrons i and j. In most applications, the central core of the atom is dominated by electrons in spherically symmetric closed shells, so that we expect an independent particle central field model to be a good starting point. This motivates the use of wavefunctions for atoms and molecules built from anti-symmetrized products of one-electron central field wavefunctions. The theory of electronic structure of isolated complex atoms is dominated by applications of angular momentum algebra, Appendix B.3, exploiting the fact that such systems can have no preferred orientation. Angular momentum theory can only play a subordinate role in molecules where, away from the nuclei, the electrons move in a nonspherical force-field shaped by the nuclear skeleton.
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(2007). Complex atoms. In: Grant, I.P. (eds) Relativistic Quantum Theory of Atoms and Molecules. Springer Series on Atomic, Optical, and Plasma Physics, vol 40. Springer, New York, NY. https://doi.org/10.1007/978-0-387-35069-1_6
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