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Validity ofB-splines as a universal basis set for atomic Hartree–Fock–Roothaan calculations

✍ Scribed by Shiro L. Saito


Book ID
105885561
Publisher
Springer
Year
2003
Tongue
English
Weight
281 KB
Volume
109
Category
Article
ISSN
1432-2234

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📜 SIMILAR VOLUMES


A universal Gaussian basis set for atoms
✍ Jorge, F. E.; De Castro, E. V. R.; Da Silva, A. B. F. 📂 Article 📅 1997 🏛 John Wiley and Sons 🌐 English ⚖ 124 KB 👁 2 views

The generator coordinate Hartree᎐Fock method is applied to Ž . generate a universal Gaussian basis set for the heavy atoms from Ce Z s 58 Ž . through Lr Z s 103 . The Hartree᎐Fock energies obtained with our universal Gaussian basis set are compared with the new numerical Hartree᎐Fock results of Koga