期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 2, 期 5, 页码 943-945出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/a908859h
关键词
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Two series of contracted all-electron basis sets are presented for Rb to Xe which were obtained by full optimization of atomic SCF energies. The smaller, economic basis is of split valence type. The larger is of triple zeta type for the 4d atomic orbitals and better than double zeta quality for remaining valence orbitals.
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