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Articles you may be interested inCalculation of the charge-carrier mobility of polyguanylic acid: The simultaneous effect of stretching and twisting Erratum: "Charge carrier mobility in quasi-one-dimensional systems: Application to a guanine stack" [J. Chem.Mobility and localization of charge carriers in a quasi-one-dimensional electron system over liquid helium Low Temp.First the correct expression of charge mobilities in the one-dimensional ͑1-D͒ case in the deformation potential approximation are derived in detail. They differ substantially from the usual 3-D expressions. Starting from an ab initio HF band structure of a guanine stack, the effective masses, the deformation potentials, and the 1-D electron and hole mobilities, respectively, were calculated. The mobility values obtained seem to bee quite reasonable. No attempt was made to calculate from the mobilities the conductivities because of the lack of reliable experimental data ͑the activation energies of the electron and hole conductivities and dopant concentrations͒.

A new method for the determination in the HUckel approximation of the band structure of a periodic native DNA has been devised. First the method is described, its applicability for DNA is analyzed, after which the band structures of two periodic DNA models and of eight different DNA macromolecules are determined. The results show that realistic computations can be performed only if in addition to the nearest-neighbor frequencies of the bases within the single DNA helices, also the frequencies of all the 16 possible combinations of superimposed base pairs are known. Failing such experimental data, the computations on native DNA of different compositions will lead to oversimplified band structures.

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The cascade theory of the recombination of electrons into ionized donors is critically examined in this paper. It is shown that in Lax's model, and also in the work of Hamann and McWhorter, the neglect of lower lying states leads to an overestimate of overestimate of the sticking probability. It is also shown, that the model proposed by Ascarelli and Rodriguez ‐ which neglects the higher excited states ‐ does not lead to the experimental value for the total capture cross‐section.

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Charge-carrier (electron and hole) mobilities of polyguanylic acid have been computed using the deformation-potential approximation from ab initio Hartree-Fock band structure. Mobilities resulting from electron scattering on torsional acoustic phonons are calculated and compared to those obtained from a previous calculation [F. B. Beleznay et al., J. Chem. Phys. 119, 5690 (2003)] considering interaction with compressional phonons. The simultaneous effect of the two independent scatterings is also calculated.