Electron transition energies of single-walled carbon nanotubes: Hartree – Fock’s CNDOL approaches for describing excitations and related properties
Montero A.L., Montero L.A., Fuentes M.E., Menéndez E., Orellana W., Bunge C., Montero A.L., Montero L.A., García de la Vega J.M., Universidad de La Habana, CU
Electronic properties of two kinds of zig-zag (13,0) and (9,0) single walled carbon nanotubes (SWCNT) are studied using both Density Functional Theory (DFT) and an approximate Hartree-Fock (HF) named as Complete Neglect of Differential Overlap [...]