On the optimization of gaussian basis se
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P.J.C. Aerts; W.C. Nieuwpoort
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Article
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1986
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Elsevier Science
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English
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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