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Correlating basis sets for the H atom and the alkali-metal atoms from Li to Rb

✍ Scribed by Takeshi Noro; Masahiro Sekiya; Toshikatsu Koga

Publisher
Springer
Year
2003
Tongue
English
Weight
266 KB
Volume
109
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES

Accurate adapted Gaussian basis sets for
Accurate adapted Gaussian basis sets for the atoms from H through Xe
✍ F. E. Jorge; E. P. Muniz 📂 Article 📅 1999 🏛 John Wiley and Sons 🌐 English ⚖ 133 KB

We have applied the generator coordinate Hartree᎐Fock method to generate adapted Gaussian basis sets for the atoms from H through Xe. The Griffin᎐Hill᎐Wheeler᎐Hartree᎐Fock equations are integrated numerically generating accurate basis sets for these atoms. Our atomic wave functions are an improvemen