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Correlation Consistent Valence Basis Sets For Use With The Stuttgart-Dresden-Bonn Relativistic Effective Core Potentials: The Atoms Ga-Kr And In-Xe

JOURNAL OF CHEMICAL PHYSICS, no. 8 (2001): 3408-3420

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We propose large-core correlation-consistent (cc) pseudopotential basis sets for the heavy p-block elements Ga-Kr and In-Xe. The basis sets are of cc-pVTZ and cc-pVQZ quality, and have been optimized for use with the large-core (valence-electrons only) Stuttgart-Dresden-Bonn (SDB) relativistic pseudopotentials. Validation calculations on ...更多

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