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The Effective One-electron Potential procedure for fragmentation methods, which is central to the Project's proposal, was developed, implemented in a computer code, and successfully applied to a couple of Computational Chemistry problems:
In the course of the Project, quantum chemistry program EOPDev has been developed. Its main goal is to facilitate the development of custom (user-defined) one-electron potentials for fragment-based methods of Computational Chemistry. Psi4 quantum chemistry Program is a base for EOPDev, which is its plugin. To make potential users more familiar with Psi4 as a development platform tool, Polonez Team organized a quantum chemistry workshop, in which topics such as population analysis of molecular charge distributions, Hartree-Fock model, Configuration Interaction Singles theory, and Trajectory Surface Hopping dynamics, were covered from a programmer/theorist point of view.