Formation of Stationary Electronic States in Finite Homogeneous Molecular Chains
Lakhno V.D., Korshunova A.N.
Institute of Mathematical Problems of Biology, Russian Academy of Sciences, Pushchino, Moscow Region, 142290, Russia
Abstract. Evolution of an arbitrary initial distribution of a quantum-mechanical particle in a uniform molecular chain is simulated by a system of coupled quantumclassical dynamical equations with dissipation. Stability of a uniform distribution of the particle over the chain is studied. An asymptotical expression is obtained for the time in which a localized state is formed. The validity of the expression is checked by direct computational experiments. It is shown that the time of soliton and multisoliton type states formation depends strongly on the initial phase of the particle’s wave function. It is shown that in multisoliton states objects with a fractional electron charge which can be observed experimentally are realized. The results obtained are applied to synthetic uniform polynucleotide molecular chains.
Key words: DNA, nanoelectronics, quantum, dissipative, numerical, hyperbolic, relaxation, solitons, multisolitons.