The integral-differential and integral approach for the estimation of the classical Lennard-Jones and Biswas-Hamann potentials

Abstract

Many well-known semiempirical potential energy functions have been used to construct potential energy curves from the physical or chemical properties of atoms. In this study, we identify the Lennard-Jones and Biswas-Hamann potential parameters and use these to calculate and reconstruct potential energy curves using experimental datasets of gold atom. Two different approaches are studied in detail. The Lennard-Jones potential yielded complex conjugate eigenvalues for both approaches. Numerical estimates proved the considered approaches gives better approximations as constructed and reconstructed potential energy curves were almost graphically indistinguishable.