Universal Gaussian basis set for relativ
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G.L. Malli; A.B.F. Da Silva; Yasuyuki Ishikawa
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Article
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1993
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Elsevier Science
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English
⚖ 323 KB
A universal Gaussian basis set is developed for ab initio relativistic Dirac-Fock calculations on atoms and molecules. The results of the matrix Dirac-Fock-Coulomb and Dirac-Fock-Breit self-consistent field calculations using the universal Gaussian basis set are presented for the atoms, He (Z=2) thr