arXiv subjects

D. A. Tikhonov

Publications and source records attributed to D. A. Tikhonov.

2 recordsLinked to original sources

arXiv2014

Scaling of Temperature Dependence of Charge Mobility in Molecular Holstein Chains

The temperature dependence of a charge mobility in a model DNA based on Holstein Hamiltonian is calculated for 4 types of homogeneous sequences It has turned out that upon rescaling all 4 types are quite similar. Two types of rescaling, i.e. those for low and intermediate temperatures, are found. The curves obtained are approximated on a logarithmic scale by cubic polynomials. We believe that for model homogeneous biopolymers with parameters close to the designed ones, one can assess the value of the charge mobility without carrying out resource-intensive direct simulation, just by using a suitable approximating function.

cond-mat.stat-mech↗

arXiv1998

Hydration of a B-DNA Fragment in the Method of Atom-atom Correlation Functions with the Reference Interaction Site Model Approximation

We propose an efficient numerical algorithm for solving integral equations of the theory of liquids in the Reference Interaction Site Model (RISM) approximation for infinitely dilute solution of macromolecules with a large number of atoms. The algorithm is based on applying the nonstationary iterative methods for solving systems of linear algebraic equations. We calculate the solvent-solute atom-atom correlation functions for a fragment of the B-DNA duplex d(GGGGG).d(CCCCC) in infinitely dilute aqueous solution. The obtained results are compared with available experimental data and results from computer simulations.

cond-mat.soft↗