Title of article :
Coupled cluster calculations of the polarizability of furan
Author/Authors :
Christiansen، نويسنده , , Ove and Halkier، نويسنده , , Asger and Jّrgensen، نويسنده , , Poul، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1997
Pages :
7
From page :
438
To page :
444
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.
Journal title :
Chemical Physics Letters
Serial Year :
1997
Journal title :
Chemical Physics Letters
Record number :
1772062
Link To Document :
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