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16 Mar 2012
About the electron wave funtion
I wonder to know weather this tool can calculate the electron wave function in the Carbon Nanotube. Or can some one tell me how to rewrite the source code to attain this goal?
David A Saenz
25 Mar 2012
You might want to first go over the Kroig-Penny model, then extend the code to include CNT specific parameters. If that does not work, try applying the tight-binding model to the calculation. That I know of, this is the most accurate method when dealing with carbon allotropes.
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