Applications, molecular electronics working unit

The linear response function [3], R(r, r ) = (hp(r)/hv(r ))N, is used to study the effect of varying v(r) at constant N. If the system is acted upon by a weak electric field, polarizability (a) may be used as a measure of the corresponding response. A minimum polarizability principle [17] may be stated as, the natural direction of evolution of any system is towards a state of minimum polarizability. Another important principle is that of maximum entropy [18] which states that, the most probable distribution is associated with the maximum value of the Shannon entropy of the information theory. Attempts have been made to provide formal proofs of these principles [19-21], The application of these concepts and related principles vis-a-vis their validity has been studied in the contexts of molecular vibrations and internal rotations [22], chemical reactions [23], hydrogen bonded complexes [24], electronic excitations [25], ion-atom collision [26], atom-field interaction [27], chaotic ionization [28], conservation of orbital symmetry [29], atomic shell structure [30], solvent effects [31], confined systems [32], electric field effects [33], and toxicity [34], In the present chapter, will restrict ourselves to mostly the work done by us. For an elegant review which showcases the contributions from active researchers in the field, see [4], Atomic units are used throughout this chapter unless otherwise specified. 

To summarize, the control and understanding of morphology from the molecular to the macroscopic scale is crucial for optical and electrical properties and therefore also for device applications. P3HT, which has been the working horse of the polymer electronic community for many years, can be regarded as a model semicrystalline polymer for more complicated, but also more efficient, polymers based on other repeating units, e.g., donor-acceptor polymers. 

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