Coupled Hartree-Fock calculations of atomic polar tensors and the dipole polarisability of the benzene molecule
Articolo
Data di Pubblicazione:
1990
Citazione:
Coupled Hartree-Fock calculations of atomic polar tensors and the dipole polarisability of the benzene molecule / Lazzeretti, Paolo; M., Malagoli; R., Zanasi. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 167:(1990), pp. 101-104. [10.1016/0009-2614(90)85078-Q]
Abstract:
Coupled Hartree-Fock perturbation theory has been applied within the framework of high-quality basis sets to estimate the Hartree-Fock limit for the nuclear electric shielding tensors and the electric polarisability of the benzene molecule.
Tipologia CRIS:
Articolo su rivista
Keywords:
Coupled Hartree-Fock calculations; atomic polar tensors; dipole polarisability; benzene
Elenco autori:
Lazzeretti, Paolo; M., Malagoli; R., Zanasi
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