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Addition and Subtraction of Electrons in VMC


The same n=2, 16 atom, 64 electron system of diamond-structure silicon that was used in the Coulomb finite size calculations described in section gif was used to calculate a series of energy gaps using the prescription given in Eq.(gif) within the VMC framework by the method of addition and subtraction of electrons. Calculations were performed using the new electron-electron interaction designed to remove the effects of the periodic images of the additional (removed) electrons as described in Eq.(gif).

Andrew Williamson
Tue Nov 19 17:11:34 GMT 1996