Sodium fluoride clusters

From the optical response feature of the left-hand side of Figure 2.10 it is possible to conclude that classification according to the different characteristics expected for the F-center cuboid as compared with noncuboid clusters [41] has not been found in the optical response of small sodium fluoride clusters. This illustrates clearly that stmctural properties alone are not sufficient for classification of the cluster characteristics. 

When considering the femtosecond photoionization dynamics of complex systems, a completely exact evaluation of the time and energy resolved photoelectron spectrum is often not really necessary. Approximative schemes which require significantly lower computational effort are valuable in such cases. Within the nonperturbative formalism, Meier et al. have proposed an efficient computational scheme which incorporates the multi-configuration time-dependent Hartree method.An approximate method which is based on a classical-trajectory description of the nuclear dynamics has been elaborated by Hartmann, Heidenreich, Bonacic-Koutecky and coworkers and applied, among other systems,to the time-resolved photoionization spectroscopy of conical intersections in sodium fluoride clusters. 

In summary, we have shown that small sodium fluoride and lithium hydride clusters with one and two excess electrons exhibit their own characteristic absorption patterns. 

Sodium Fluoride and Lithium Hydride Clusters with... 

STRUCTURES AND OPTICAL RESPONSE OF NONSTOICHIOMETRIC SODIUM FLUORIDE AND LITHIUM HYDRIDE CLUSTERS WITH ONE AND TWO EXCESS ELECTRONS... 

In summary, Figures 4 and 5 illustrate that small sodium fluoride and lithium hydride clusters with one and two excess electrons exhibit their own characteristic spectroscopic patterns, reflecting a strong interplay between stmctural and bonding properties, which are not accessible by extrapolation from their common bulk properties. 

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