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Equation of Motion for Single Electrons

An improvement of Slater s screening rules would be to make the screening potential consistent with the actual charge density of the occupied orbitals. The English physicist Douglas R. Hartree advanced and developed this idea. [Pg.50]

As we saw in the previous chapter, one-electron representation of the motion of electrons can never be exact. The best many-electron wave function is obtained if we put the spin orbitals into a Slater determinant. To obtain a good many-electron wave function, it is necessary to include other configurations, as demanded by the variation principle. We will first review the most popular one-electron methods, in particular the Hartree-Fock method. This method was used primarily for atoms for more than 30 years, until 1950. [Pg.50]


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