Hopping integral, band structure

Fig. 118. Band structure for LaH3 calculated by Ng et al. if (i) the crystal filed is included in estimating the H-H hopping integral and if (ii) the crystal field effect is not included (Ng et al., 1999).

It is particularly important to establish how different are the hopping integrals (or, equivalently, the band structure) in these polymorphs of pentacene considering the... 

Fig. 6 The two highest occupied bands resulting from the four pentacene polymorphs (there are two pentacene molecules in the unit cell). Dashed lines are computed including only the HOMOHOMO interaction between nearest neighbors in the ab plane. Only four hopping integrals account for the electronic structure of the solid at T = OK. From [61]...

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