PP and Basis Sets #1551
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PP and Basis Sets #1551
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+ correlation consistent augmentation and polarization functions
abussy
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Jul 28, 2021
* PBE/SCAN/PBE0[GGA/MGGA/HYB] GTH potentials from UZH 2021 * Geometrical Response Basis Valence Set based on UZH GTH PBE0 Potentials + correlation consistent augmentation and polarization functions * ADMM BASIS UZH version 1.0 * BASIS MOLOPT using UZH procedure
mtaillefumier
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Nov 16, 2021
* PBE/SCAN/PBE0[GGA/MGGA/HYB] GTH potentials from UZH 2021 * Geometrical Response Basis Valence Set based on UZH GTH PBE0 Potentials + correlation consistent augmentation and polarization functions * ADMM BASIS UZH version 1.0 * BASIS MOLOPT using UZH procedure
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