J. Chem. Phys. 109, 4745-4757 (1998).
(Received 7 April 1998; accepted 16 June 1998)
The dipole-polarizabilities of CO, N2, HF, Ne, BH, and CH+ have been investigated using coupled-cluster methods. An extensive basis set study has been carried out and electron correlation effects have been studied employing a hierachy of coupled-cluster models. Vibrational-averaged electronic polarizabilities as well as the pure vibrational polarizabilities have been calculated based on ab initio energy and property curves. The frequency-dependency of the vibrationally-averaged electronic polarizabilities and vibrational polarizabilities are discussed. The final results are compared with available experimental data.
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