Electronic structure of seven component model protein chains: Effect of electron correlation

Abstract

Quasi-particle band structure results of seven homopolypeptides with aliphatic side chains obtained using double zeta basis set have been used as input tc calculate the electronic density of states of periodic and aperiodic model protein chains on the basis of negative factor counting method in tight binding approximation. The results obtained are compared to the electronic structure obtained from <i>ab initio </i>Hartree Fock band structure results for the same system, obtained using minimal basis set and double zeta basis set respectively.