摘要
In the study of the various physical and chemical properties of crystals, it is important to calculate the positions and widths of the energy bands and the state density. Many investigators are interested in the one-dimensional crystal since it possesses some particular characteristics. Much progress in both theory and practice has been made in the last few years. In this paper, we have investigated the mutual relations between the atomic orbital (AO), molecular orbital (MO), and crystal orbital (CO) in the one-dimensional crystal, and pointed out the corresponding
