Electronic states oxide glass modeling

The need to model this distribution means that it is difficult to theoretically study the electronic states of oxide glasses. There are several ways to theoretically study the electronic state of oxide materials, these include band calculations and molecular orbital methods. (9-13) The randomness is a problem for the band approach because it requires translational symmetry of the unit cell a large super-cell may be chosen, but this is at the cost of increased computer time and possible spurious interactions between cells. On the other hand, the molecular orbital (MO) approach is usually applied to isolated molecules, (14-16) and can not handle infinite numbers of atoms as in the solid state. The embedded potential method is one of the improvements in moleculeir orbited methods which have been introduced in order to study solid state materials. (17) Basically, the cluster Hamilto-... 

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