Accurate reproduction of strongly repulsive interatomic potentials
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DOI: 10.1103/physreva.101.032504
Abstract: Knowledge of the repulsive behavior of potential energy curves $V(R)$ at $R\to0$ is necessary for understanding and modeling irradiation processes of practical interest. $V(R)$ is in principle straightforward to obtain from electronic structure calculations; however,… read more here.
Keywords: accurate reproduction; reproduction strongly; strongly repulsive; interatomic potentials ... See more keywords