Pulse Train On Napthalocyanine System

This article describes the interaction of a laser pulse train on napthalocyanine and phthalocyanine systems, in order to analyze their behavior in terms of optical limiting by tuning the laser parameters. The main conclusion of the work is that the single sub-pulse duration is the most important parameter that affects the optical limiting process. The topic of the manuscript, may be of interest to the audience of the Journal of Computational and Theoretical Chemistry. However, the computational methodology is not clear and the outcome should be classified as routine work, since no new insights are offered and results are easily predictable or already partially known from the previous paper Ref [20]. As it stands publication is not …show more content…

Following this strategy, it is possible to ignore the populations of the S1, Sn and T2 levels and convert the temporal equations in a set of discrete equations considering just the sub-pulses' center, consequently avoiding the explicit integration in time. This point should be clarified in detail.

5) It is not so clear for me why authors have included the assumption GammaSn^-1=GammaT2^-1=1ps, GammaS1+gammac ~ gammac and sigmaS1Sn=10^-21. It was based on the properties for other systems?

6) Lines 95-103 and Figure 3: Authors do not observe any change by changing delta and n. It is easily expected as is described in text due to the lifetime of the state S1. So, I suggest remove figure 4 and describe it in more detail through the text.

8) Line 86. "Npcs have better OL effect than that of PCs" It was already described in the previous paper Ref [20]. Citation is neccessary.

9) Figure 4, panel a, lines 104-112 and conclusions lines 126-127: The effect of increasing the sub-pulse duration is well expected. Authors claim that case tau=100ps has the better OL behavior. That is not truth as it is shown in Figure 4. The better one is tau=140ps, and in general larger sub-pulse duration will show better OL behavior. Indeed, as longer the sub-pulse is, triplet state is more populated, thus T1->T2 absorption becomes the most important one which induces the better OL effect, due to this transition is at roughly 2 order of magnitude stronger than S0->S1 (according with Table