Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

• A. J. H. Wachters

  IBM Research Laboratory, San Jose, California 95114

抄録

A Gaussian basis set consisting of 14s-type, 9p-type, and 5d-type functions has been optimized for the third-row atoms up to Zn. Energy values are reported for different contractions of this basis set.

収録刊行物

• The Journal of Chemical Physics

  The Journal of Chemical Physics 52 (3), 1033-1036, 1970-02-01

  AIP Publishing

キーワード

• Physical and Theoretical Chemistry
• General Physics and Astronomy

詳細情報

• CRID: 1362544421414027904
• NII論文ID: 30015695510
• DOI: 10.1063/1.1673095
• ISSN: 10897690
• ISSN: 00219606
• Web Site: https://pubs.aip.org/aip/jcp/article-pdf/52/3/1033/18866013/1033_1_online.pdf
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