TANSO
Online ISSN : 1884-5495
Print ISSN : 0371-5345
ISSN-L : 0371-5345
Introduction to Electronic Structure Calculation of Nano-Carbon
Riichiro Saito
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Keywords: Nano-carbon, Structual optimization, Linux, Mopac, Gaussian, Tersoff potential, Density of states
JOURNAL FREE ACCESS

2003 Volume 2003 Issue 207 Pages 67-72

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Abstract
We introduce some calculation methods for structure and electronic structure of various carbon materials. Some experimental spectra of Raman spectroscopy, infrared absorption, STS and STM can be directly compared with the calculated results.
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© The Carbon Society of Japan
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