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Optimization of basis sets for isoelectronic series of closed-shell atoms in Hartree-Fock-Roothaan calculations

✍ Scribed by Y. B. Malykhanov; R. N. Pravosudov; V. V. Meshkov

Book ID
110658749
Publisher
SP MAIK Nauka/Interperiodica
Year
2000
Tongue
English
Weight
589 KB
Volume
41
Category
Article
ISSN
0022-4766

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πŸ“œ SIMILAR VOLUMES

On the optimization of gaussian basis se
On the optimization of gaussian basis sets for hartree-fock-dirac calculations
✍ P.J.C. Aerts; W.C. Nieuwpoort πŸ“‚ Article πŸ“… 1986 πŸ› Elsevier Science 🌐 English βš– 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