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Forum: ADF

Topic: Raman intencity with LB94

Link	Post Time	Author	Message Excerpt
98	27 Mar 2006, 05:03 PM CEST	alexib	Dear colleagues, is it possible to calculate Raman intensities utilizing LB94 XC potential? As I learned from the manual LB94 is incompatible with Frequencies run while it is bad for energy. Can I calculate frequencies with for example BLYP and then to calculate the intensities with LB94 via some restart? Or the only way to do that is a polarizability differentiation by hand? Thanks in advance! Sincerely, Alexey.

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Received on 2006-03-28 07:00:01