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