Abstract
All independent components of all electric polarizability and hyperpolarizability tensors up to the fourth rank have been calculated near the Hartree-Fock limit for Li2(l σg 2 1 σu 2 2 σg 2 X1 Σg +). Many of the molecular properties reported in this paper appear for the first time in the literature. Our values for the isotropic components of the C, B and γ hyperpolarizabilities are 1487 e2 a0 4Eh −1, −490 x 102e3 a0 4Eh −2 and 510.5 x 103 e4 a0 4 Eh −3 respectively.
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