Self energy corrected tight-binding framework in directed hybrid orbital basis from first principles - Hossain, Manoar; Bhattacharjee, Joydeep (Bhubaneswar: NISER, 2021)
Keywords: HYBRID ORBITALS; LEHMAN REPRESENTATION; TB PARAMETERS; TB (TIGHT BINDING) FRAMEWORKS; QUANTUM CAPACITANCE; ARMCHAIR GRAPHENE NANORIBBONS; DENSITY FUNCTIONAL THEORY (DFT); HUMO - LUMO GAP; BORN-OPPENHEIMER APPROXIMATION; ARMCHAIR GRAPHENE NANORIBBONS (AGNR)