Author/Authors :
Christiansen، نويسنده , , Ove and Halkier، نويسنده , , Asger and Jّrgensen، نويسنده , , Poul، نويسنده ,
Abstract :
The polarizability of furan has been investigated using the coupled cluster CCS, CC2 and CCSD models. Integral-direct techniques have been applied and calculations containing up to 322 basis functions have been employed. The results have been compared with experimental data and results of previous calculations. Explicit inclusion of dispersion effects is important for obtaining accurate frequency-dependent polarizabilities.