Transferable potential for carbon without angular terms

A simple transferable potential for carbon is developed for use in atomisti c simulation. It describes all the phases of carbon, from the close packed, such as face centered cubic, to the open systems, such as diamond cubic, g raphite, and even linear chains. The parameters are fit to a total-energy l ocal-density functional theory database augmented by the known cohesive ene rgies of diamond and graphite. Further, structures such as simple molecules , not in the database, are well described. For example, it predicts that od d number of atom molecules form chains whereas even atom number molecules f orm rings. The diamond cubic and graphitic structures are dynamically stabl e. The formalism also allows for interaction with an external electric fiel d. Further, it can be generalized to other covalent systems as well as mid- d-block elements. [S0163-1829(99)00814-0].