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We recently proposed a real-time simulation method of nuclear and electron wave packet molecular dynamics (NEWPmD) based on wave functions of hydrogen molecules composed of nuclear and electron WPs. Non-empirical intra-and intermolecular interactions of non-spherical hydrogen molecules were explicitly derived and a long-range dispersion force between hydrogen molecules was successfully derived. Nuclear quantum effects (NQEs) such as nuclear delocalization and zero-point energy weredoi:10.2477/jccj.2016-0020 fatcat:gjjojst7cffdxpyrhytingf3ja