Institute of Mathematical Problems of Biologie, RAS
Lakhno V. D., Korshunova A. N.
The modelling of selftrapped state formation in homogeneous polynucleotide chain
2008, Vol. 4, No. 2, pp. 193-214
Evolution of a quantum-mechanical particle in a uniform molecular chain is simulated by a system of coupled quantum-classical dynamical equations with dissipation. Stability of a uniformdistribution of the particle over the chain is studied. An asymptotical expression is obtained for the time in which a soliton state is formed. The validity of the expression is checked by direct computational experiments. It is shown that the time of soliton formation depends strongly on the initial phase of the particle’s wave function. The results obtained are used to analyze some experiments on charge transfer in DNA. The correlation between autolocalization effect and the reduction of wave function is discussed.