Conductance/conduction configuration interaction

Following Refs. [61, 62], a two-band (valence and conduction band) configuration interaction model is introduced, using a basis of monoexcited configurations on the polymer chain. These correspond to electron-hole states n) = nen h) = ne)c <8> n h)v localized at sites n and n of the chain. Here,... 

During the past few years, we have been interested in the calculation and interpretation of transition metal optical spectra conducted in parallel to ongoing experimental studies. To this end, we have developed efficient computer codes to carry out such calculations [45], In particular, a method called spectroscopy oriented configuration interaction (SORCI) was developed [46] and successfully tested in a number of applications [47-57] (for an extensive review on the these developments and their application, see [58]). 

Reactor Configuration. The horizontal cross-sectional area of a reactor is a critical parameter with respect to oxygen mass-transfer effects in LPO since it influences the degree of interaction of the two types of zones. Reactions with high intrinsic rates, such as aldehyde oxidations, are largely mass-transfer rate-limited under common operating conditions. Such reactions can be conducted effectively in reactors with small horizontal cross sections. Slower reactions, however, may require larger horizontal cross sections for stable operation. 

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