Using the dipole acceleration formalism, it is shown that the molecular polarizability at an arbitrary frequency can be written as a sum of atomic contributions, which can be interpreted as the polarizabilities of the individual atoms within the molecule. Transferability of the atomic terms is discussed and the relations with the atomic polar tensors are shown, suggesting a possible way for measuring atomic contributions to static polarizabilities via IR spectroscopy.
Resolution of molecular polarizability into atomic terms / Lazzeretti, Paolo; R., Zanasi. - In: CHEMICAL PHYSICS LETTERS. - ISSN 0009-2614. - STAMPA. - 109:(1984), pp. 89-91.
Resolution of molecular polarizability into atomic terms
LAZZERETTI, Paolo;
1984
Abstract
Using the dipole acceleration formalism, it is shown that the molecular polarizability at an arbitrary frequency can be written as a sum of atomic contributions, which can be interpreted as the polarizabilities of the individual atoms within the molecule. Transferability of the atomic terms is discussed and the relations with the atomic polar tensors are shown, suggesting a possible way for measuring atomic contributions to static polarizabilities via IR spectroscopy.
Pubblicazioni consigliate
I metadati presenti in IRIS UNIMORE sono rilasciati con licenza Creative Commons CC0 1.0 Universal, mentre i file delle pubblicazioni sono rilasciati con licenza Attribuzione 4.0 Internazionale (CC BY 4.0), salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris
