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Recently, we have introduced a new generation of effective core potentials(ECPs) designed for accurate correlated calculations but equally useful for abroad variety of approaches. The guiding principle has been the isospectralityof all-electron and ECP Hamiltonians for a subset of valence many-body statesusing correlated, nearly-exact calculations. Here we present such ECPs for the3d transition series Sc to Zn with Ne-core, i.e, with semi-core 3s and 3pelectrons in the valence space. Besides genuine many-body accuracy, theoperators are simple, being represented by a few gaussians per symmetry channelwith resulting potentials that are bounded everywhere. The transferability ischecked on selected molecular systems over a range of geometries. The ECPs showa high overall accuracy with valence spectral discrepancies typically $\approx$0.01-0.02 eV or better. They also reproduce binding curves of hydride and oxidemolecules typically within 0.02-0.03 eV deviations over the fullnon-dissociation range of interatomic distances.

New generation of effective core potentials from correlated calculations: 3d transition metal series