LIBGRPP: A Library for the Evaluation of Molecular Integrals of the Generalized Relativistic Pseudopotential Operator over Gaussian Functions
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DOI: 10.3390/sym15010197
Abstract: Generalized relativistic pseudopotentials (GRPP) of atomic cores implying the use of different potentials for atomic electronic shells with different principal quantum numbers give rise to accurate and reliable relativistic electronic structure models of atoms, molecules,… read more here.
Keywords: libgrpp library; generalized relativistic; dirac coulomb; electron ... See more keywords