Abstract
Two aspects of the development of an effective interatomic potential energy function are discussed. The first is the derivation of sound functional forms that are motivated by quantum-mechanical bonding principles. The second aspect is the development of empirical corrections and fitting parameters that are often necessary to make a potential function practical for specific applications. An analytic bond-order function for carbon is used as an example.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
