Spin-orbit coupling martrix elements calculation with NWchem


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Just Got Here
7:18:28 PM PST - Sat, Dec 4th 2010
Hi,

I am new to NWchem.

I just want to know if it would be possible direct dump the spin-orbit coupling martrix elements during TD-DFT calculations with nwchem. And, if this is possible, please show me how to dump the martrix elements.

Best,

Xin