Abstract
Second order perturbation theory has been coupled with the CNDO/S CI method of Del Bene and Jaffé to calculate the ground and excited state polarizabilities of various molecules. It is found that this treatment produces reasonably good polarizabilities with great computational ease.
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Marchese, F.T., Jaffé, H.H. The calculation of ground and excited state molecular polarizabilities: A simple perturbation treatment. Theoret. Chim. Acta 45, 241–247 (1977). https://doi.org/10.1007/BF00554533
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DOI: https://doi.org/10.1007/BF00554533