Author/Authors :
Sonia Coriani، نويسنده , , Sonia and Hنttig، نويسنده , , Christof and Jّrgensen، نويسنده , , Poul and Halkier، نويسنده , , Asger and Rizzo، نويسنده , , Antonio، نويسنده ,
Abstract :
We present the results of calculations of the Verdet constants for H2, N2, C2H2 and CH4, within a recently implemented quadratic response function approach, for the hierarchy of coupled cluster models CCS, CC2 and CCSD. For hydrogen, our FCI results are compared with experiment and with previous calculations of “benchmark” quality. The results for nitrogen and acetylene are compared with experiment and former theoretical investigations. For methane, this is the first ab initio study of the Verdet constant.
