In may TD-DFT calculation result with GAUSSIAN 09w , oscillator strength value is too low or 0, what is the probable causes, TD-DFT,B3LYP,G316(d,p)
Oscillator strength is given by f = \frac{2}{3}\mu_{0i}^2 \omega_{0i}, where \omega_{0i} and \mu_{0i} are the excitation energy and transition dipole moment for transition from initial state |0> to the final state |I>. Low oscillator strength simply means that those states are not one-photon active. That means the probability of transition from ground state to that excited state is very small.
Hi Kübra.
As thy say, don't worry about low oscillator strength, it means that those excited states show low probability to occur. This excited states are called "dark states", by the way.
As aditional recommendations, I suggest you to change the functional you use, it is not well parametrized for excited states since it doesn't include long range correlation or electron dispersion. Also, how many excited states are you calculating?
Thank you
Gustavo Mondragón-Solórzano 6 states have calculated, I tryed with b3LYP, CAMB3LYP
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