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Gaussian basis for the Dirac–Fock discrete basis expansion calculation

✍ Scribed by Yasuyuki Ishikawa; Reinaldo Baretty; Robert C. Binning Jr.


Publisher
John Wiley and Sons
Year
1987
Tongue
English
Weight
38 KB
Volume
31
Category
Article
ISSN
0020-7608

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📜 SIMILAR VOLUMES


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