Expectations, studying quantum

This procedure is conceptually straightforward, as one utilizes the very definition of the isothermal compressibility and its connection to the number fluctuations. Furthermore, Eqs. (141) and (142) are very advantageous when studying quantum hard-sphere fluids, since the error bars of the pressure estimates are far more controllable than when using the virial pressure involving Fierz s term [96]. By extension, the same is expected to happen when studying quantum fluids in which very strong repulsions between the particles play a dominant role. 

In a way, the limit set is thus the entire funnel between the two extreme cases qlc, and g o, Fig. 5. This effect is called Takens-chaos, [21, 5, 7]. As a consequence of this theorem each momentum uncertainty effects a kind of disintegration" process at the crossing. Thus, one can reasonably expect to reproduce the true excitation process by using QCMD trajectory bundles for sampling the funnel. To realize this idea, we have to study the full quantum solution and compare it to suitable QCMD trajectory bundles. 

There are several examples in the literature of recent years of convincing numerical demonstrations that a compound not yet observed has a stable structure. It must be remarked that these studies usually regard compounds of marginal chemical interest, and that for innovative problems the quantum approach has always been late with respect to the experiments. This delay decreases, but it is unlikely to expect that the leadership in the search of new compounds will be assumed by in-depth calculations. 

The oscillator strength of the longest wavelength absorption band of BMPC (1.1, [25]) is very similar to those of two previously studied carbocyanines (DOC and DTC) [45] so that we can expect that, for BMPC as well as for EK)C and DTC, the radiative constant (kp) is equal to 2-3x10 s". Combining this value with the fluorescence quantum yield of BMPC in methanol, 4)p= 5.3x10", we can estimate its room-temperarnre fluorescence lifetime to be = 2 ps. 

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