화학공학소재연구정보센터
Chemical Physics Letters, Vol.330, No.3-4, 463-470, 2000
Triple excitation effects in coupled cluster calculations of Verdet constants
The CC3 approach has been employed to calculate the Verdet constants of N-2, C2H2, and CH4. For N-2 and C2H2, relatively large triples contributions are found which need to be included in order to reach close agreement with the experimental constants.