Uncoupled and coupled Hartree–Fock perturbation theories are employed to calculate the electric dipole polarizabilities of condensed hydrocarbons in the framework of the Pariser–Parr–Pople approximation. An empirical way of taking into account -effects is studied. Agreement between calculated and experimental results is remarkably good.
Uncoupled and Coupled Hartree-Fock Calculations of Dipole Polarizabilities of Condensed Hydrocarbons / Lazzeretti, Paolo; F., Taddei. - In: JOURNAL OF THE CHEMICAL SOCIETY. FARADAY TRANSACTIONS II. - ISSN 0300-9238. - STAMPA. - 70:(1974), pp. 1153-1158. [10.1039/F29747001153]
Uncoupled and Coupled Hartree-Fock Calculations of Dipole Polarizabilities of Condensed Hydrocarbons
LAZZERETTI, Paolo;
1974
Abstract
Uncoupled and coupled Hartree–Fock perturbation theories are employed to calculate the electric dipole polarizabilities of condensed hydrocarbons in the framework of the Pariser–Parr–Pople approximation. An empirical way of taking into account -effects is studied. Agreement between calculated and experimental results is remarkably good.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