Development of a pair potential for Ta-He system


Development of a pair potential for Ta-He system is a scholarly work, published in 2019 in ''Computational Materials Science''. The main subjects of the publication include chemistry, Pair potential, Ab initio quantum chemistry methods, Atom, molecular physics, Cluster, binding energy, computational chemistry, ab initio, nuclear fuel, atomic physics, and materials science. They were found to be in good agreement with available ab initio results.