Evolution of Electronic Structure from Single Molecule to Molecular Solid

Evolution of Electronic Structure from Single Molecule to Molecular Solid 

As polymer solids in general consist of assembly of long polymeric molecules with weak intermolecular interaction, we first overview evolution of electronic structure from single molecule to molecular solid with a small molecule and discuss the energy bands typically appearing in the solid due to the intermolecular interaction. Evolution of electronic structure of polymer will be considered in Section 3.2.3 for a polymer chain. 

UPS of organic thin films gives that is smaller by than Ig, and IPES provides As larger by P than Ag. The polarization energy is also called the relaxation energy. 

Although we usually do not write a hole explicitly in the occupied MO level in the energy level scheme but two electrons, the scheme always means that the occupied MO level corresponds to that of one-hole state and the unoccupied MO level to one-electron state by assuming Koopmans theorem [30]. The valence band is thus called the hole band and the conduction band is called the electron band. For ionization, Koopmans theorem gives 

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