Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 122, Issue 10, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.1856451
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Two-component and scalar relativistic energy-consistent pseudopotentials for the group 1 elements from K to element 119 are presented using nine electrons for the valence space definition. The accuracy of such an approximation is discussed for dipole polarizabilities and ionization potentials obtained at the coupled-cluster level as compared to experimental and all-electron Douglas-Kroll results.
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