Correlation Energies of the Lithium Sequence

Abstract
The nonrelativistic eigenvalues of the 1s22pP2 states of the lithium sequence are calculated to be E(Z)=1.125Z2+1.09352614Z0.52717136+O(Z1) a.u., where Z is the nuclear charge; and the energy of the 1s22pP21s22sS2 transition is calculated to be ΔE(Z)=0.07072093Z0.11902237+O(Z1) a.u. For large nuclear charges, the addition of a 2p electron to the 1s2S1 core increases the magnitude of the correlation energy by 0.30 eV to give a value of 1.57 eV, most of which arises from the electron-pair energies.

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