sharc icon indicating copy to clipboard operation
sharc copied to clipboard

Published 20 hours ago • verified publisher icon sharc-md

Regarding The SOC values

Open lukhman9020 opened this issue 8 months ago • 2 comments

Dear Sir, I did the SHARC-LVC simulation for my molecule. I successfully generated the LVC.template file and inspected it for SOC values. I can see the SOC real and SOC imaginary values, but I couldn’t determine which states these values correspond to. Will I get the SOC between the singlet state and the excited triplet states?

Looking forward to your guidance.

Best regards, LUKHMANUL HAKEEM K.

lukhman9020 avatar Jun 25 '24 08:06 lukhman9020