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A note on the truncation of the basis in Hartree-Fock calculation

✍ Scribed by J. Žofka


Book ID
112592717
Publisher
Springer
Year
1971
Tongue
English
Weight
422 KB
Volume
21
Category
Article
ISSN
0011-4626

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On the optimization of gaussian basis se
✍ P.J.C. Aerts; W.C. Nieuwpoort 📂 Article 📅 1986 🏛 Elsevier Science 🌐 English ⚖ 612 KB

Gaussian basis sets for atomic one-electron systems have been optimtzed by straight mmtmr~atron of the electronic ground-state eigenvalue of the finite basis set representation of the Dirac operator, using the "kinetic energy balance" procedure in conjunction with appropriate additional variational