Browsing School of Computer and Communication Engineering (Articles) by Subject "Electron density"
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Ab-initio calculation of the ground state of a truncated single-walled carbon nanotube
(American-Eurasian Network for Scientific Information (AENSI), 2012-05)An ab-initio calculation of the ground state of a truncated single-walled carbon nanotube was performed. For this calculation, we adopted Density Functional Theory approach which significantly reduced computational ...