Author Topic: triplet states  (Read 4237 times)

jbaltrus

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triplet states
« on: June 29, 2011, 12:42:42 AM »
What would be a good example of when I need to calculate not only singlet, but also triplet ricc2 excited states (probably that also goes for escf, not only ricc2)? Say I am working with organics, is there ever a need for triplet state calculation?

thanks

Jonas