| Abstract
| - We present density-functional theory calculations of vibrational Raman optical activity. Gauge-originindependence of the results is ensured by using London atomic orbitals, and the frequency dependence isincluded by using analytical response theory. The Raman optical activity circular intensity differences areobtained by combining analytical calculations of linear response functions with numerical differentiation withrespect to nuclear distortions. The results are compared with experiment, previous Hartree−Fock calculations,and a more recent approximate sum-over-states approach.
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