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- W2076762981 abstract "The electronic and geometrical structure of neutral and cationic Hg2 and Hg3 molecules are calculated using the all-electron Dirac-Fock-Slater SCF method, with relativistic numerical atomic basis functions. An improved calculation of the direct Coulomb potential has been taken into account in order to get a numerically accurate potential energy surface. The binding, ionization and excitation energies have been compared with experimental results as well as other theoretical results." @default.
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- W2076762981 date "1995-06-28" @default.
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- W2076762981 title "All-electron Dirac-Fock-Slater SCF calculations for electronic and geometric structures of the Hg<sub>2</sub>and Hg<sub>3</sub>molecules" @default.
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- W2076762981 doi "https://doi.org/10.1088/0953-4075/28/12/004" @default.
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