Author Topic: ghost states in ricc2  (Read 6077 times)

jbaltrus

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ghost states in ricc2
« on: September 14, 2010, 05:01:25 AM »
Christof,

would ricc2 method help to avoid of (loosely defined) excited "ghost" states so prone in TDDFT? Incidentally, how would I determine if an excited state transition is due to the "ghost" state or if it's valid?

thanks

Kpmas

christof.haettig

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Re: ghost states in ricc2
« Reply #1 on: November 18, 2010, 05:44:50 PM »
Would you call 'ghost states'  are higher excited states with extreme red shifts due to the issues of TDDFT with charge transfer states, which is artifact of the popular semi-local DFT functionals.

Such problems are not present in wavefunction based methods as e.g. CC2.

Best wishes,
Christof