期刊
CHEMICAL PHYSICS LETTERS
卷 375, 期 3-4, 页码 399-405出版社
ELSEVIER SCIENCE BV
DOI: 10.1016/S0009-2614(03)00873-X
关键词
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The prolapse problem in the four-component relativistic Gaussian basis sets, recently developed by Koga, Tatewaki, and Matsuoka for the atoms H-1 through Lr-103, is discussed. Deficiency in the number of s(+), basis functions is pointed out for the atoms in the fourth and higher periods. A small prolapse is detected in the p(-) symmetry of the sixth and seventh period atoms. However, no problem is found for the remaining five symmetries. (C) 2003 Published by Elsevier Science B.V.
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