Ab Initio Studies on Electronic Structure and Charge Density of Potato Starch


Starch is a carbohydrate consisting of a large number of glucose units joined by glycosidic bonds. An ab initio study based on density functional theory implemented in computational program SIESTA is the prime theme of present paper. In which LDA exchange co-relation environment is used to obtain density of states (DOS), projected/partial density of states… (More)

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