Energy and Quasi-Particle Gap in a Cytosine Stack

Correlation Energy and Quasi-Particle Gap in a Cytosine Stack 

In this way hf/n = 392.036284 H was obtained for the infinite polymer. The valence-shell correlation energy per monomer is — 0.663012 H ( 18.5 mH per valence electron), which from previous experience indicates that about half of the estimated full correlation energy can be achieved with the given method and basis set.  

TABLE 5.5. Single-Particle Energies (e[HF]) and Self-Energy Correlations (2) Contributing to the Quasi-Particle Energies (el pol) in the Valence and Conduction Bands of PolyC  

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