| タイトル | Near Hartree-Fock quality GTO basis sets for the first- and third-row atoms |
| 著者（英） | Partridge, Harry |
| 著者所属（英） | NASA Ames Research Center |
| 発行日 | 1989-01-15 |
| 言語 | eng |
| 内容記述 | Energy-optimized Gaussian-type-orbital (GTO) basis sets of accuracy approaching that of numerical Hartree-Fock computations are compiled for the elements of the first and third rows of the periodic table. The methods employed in calculating the sets are explained; the applicability of the sets to electronic-structure calculations is discussed; and the results are presented in tables and briefly characterized. |
| NASA分類 | ATOMIC AND MOLECULAR PHYSICS |
| レポートNO | 89A29147 |
| 権利 | Copyright |
| URI | https://repository.exst.jaxa.jp/dspace/handle/a-is/364868 |
