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Contracted all-electron Gaussian basis sets for atoms Rb to Xe

✍ Scribed by Ahlrichs, Reinhart; May, Klaus


Book ID
118228990
Publisher
Royal Society of Chemistry
Year
2000
Tongue
English
Weight
73 KB
Volume
2
Category
Article
ISSN
1463-9076

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πŸ“œ SIMILAR VOLUMES


Accurate adapted Gaussian basis sets for
✍ F. E. Jorge; E. P. Muniz πŸ“‚ Article πŸ“… 1999 πŸ› John Wiley and Sons 🌐 English βš– 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