The quadrupole moment (θzz) and quadrupole polarizability C tensor are calculated for the ground state of carbon monoxide. The results are based on finite-field energies computed using the coupled-cluster double excitation model (commonly known as CCD), corrected by fourth-order contributions from single and triple excitations computed with CCD amplitudes. The final values are θzz=−1.50 ea20, Cxx,xx =25.98 e2a40E−1h, Czz,zz =47.01 e2a40E−1h and C̄=56.03 e2a40E−1h.
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Maroulis et al. (1990) studied this question.
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