ghost states in ricc2

Started by jbaltrus, September 14, 2010, 05:01:25 AM

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jbaltrus

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

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