Spin-Spin coupling


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Posted by Eduard Cremades on May 26, 2009 at 18:25:02:

Dear All,

I have ran satisfactorily the rassi module to compute the D parameter of the zero-field splitting of a manganese(III) complex, but the spin-spin dipolar coupling have to be considered too. There is some way to calculate the spin-spin contribution using MOLCAS 7.2?

A lot of thanks!

Eduard


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