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The Hartree Product Wavefunction

2 Identifying and Incorporating Electron Correlation 5.2.1 The Hartree Product Wavefunction [Pg.124]

The simplest description of a many electron wavefunction is known as the Hartree product [11], This wavefunction is constructed as a simple product of one electron wavefunction, or orbital. In the case of a two-electron system  [Pg.124]

Where x (xn) is a spin-orbital occupied by electron n. The Hartree product corresponds to an independent particle approximation, which can be seen more clearly by considering the probability of simultaneously finding electron 1 at the point ri and electron 2 at r2. [Pg.124]


In other words, the existence of the so-called Self-Interaction-Correction (SIC) makes the method reminiscent of the Hartree (product) wavefunction rather than the Hartree-Fock (determinant) case. [Pg.363]

The Hartree product wavefunction described in equation 5.1 can easily be antisymmetrised ... [Pg.124]




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