作者: Fenglin Yuan , Liping Huang
DOI: 10.1103/PHYSREVB.85.134114
关键词:
摘要: Essentialsfor the success of such a potential are that it realisticallyaccounts for charge redistribution associated with changesin bonding structure and directional character thecovalent is modeled by angular constraints in termsof three-body interactions. It should be noted althoughthe force field used here quite unique, key thediscovery new