| 摘要 |
<P>PROBLEM TO BE SOLVED: To provide a molecule simulation device that estimates the electric conductivity of an amorphous body. Ž<P>SOLUTION: The molecule simulation device that estimates the electric conductivity of the amorphous body evaluates: a carrier transfer integral between different wave functions present in the amorphous body (evaluation based on a difference in energy level between the different wave functions and the volume of an overlap area of the different wave functions); an extent on a space (evaluation based on the volume obtained by subtracting the volume of the overlap area from the sum of the volumes of the different wave functions); and the probability of the existence of a carrier, and estimates the electric conductivity based on the three evaluations. Ž<P>COPYRIGHT: (C)2010,JPO&INPIT Ž
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