II. Knowledge or relevant theories 2.1 density functional theory
.Density functional theory is a theory used in the study of solid substances are commonly used as appropriate to the calculation of the program. The theory such as the one in the process, secretly อินิ CHO (Ab initio method).Cohn (Hohenberg-Kohn theorem) and conclusion is "various quantities that can measure a functional of the density of electrons. And the density of electrons one form that caused the lowest energy levels in the ground state. "It is
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