Localized Gaussian type orbital-periodic boundary condition-density functional theory study of infinite-length single-walled carbon nanotubes with various tubular diameters

Wang, H. W.H. W.WangWang, B. C.B. C.WangChen, W. H.W. H.ChenHayashi, M.M.Hayashi2020-04-012020-04-012008https://scholars.lib.ntu.edu.tw/handle/123456789/482777Localized Gaussian type orbital-periodic boundary condition-density functional theory study of infinite-length single-walled carbon nanotubes with various tubular diametersjournal article10.1021/jp074107l