中国物理B ›› 2016, Vol. 25 ›› Issue (1): 18708-018708.doi: 10.1088/1674-1056/25/1/018708

• INTERDISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY • 上一篇    下一篇

Quantum dynamics of charge transfer on the one-dimensional lattice: Wave packet spreading and recurrence

V N Likhachev, O I Shevaleevskii, G A Vinogradov   

  1. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russian Federation
  • 收稿日期:2015-04-01 修回日期:2015-08-27 出版日期:2016-01-05 发布日期:2016-01-05
  • 通讯作者: G A Vinogradov E-mail:gvin@deom.chph.ras.ru

Quantum dynamics of charge transfer on the one-dimensional lattice: Wave packet spreading and recurrence

V N Likhachev, O I Shevaleevskii, G A Vinogradov   

  1. Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russian Federation
  • Received:2015-04-01 Revised:2015-08-27 Online:2016-01-05 Published:2016-01-05
  • Contact: G A Vinogradov E-mail:gvin@deom.chph.ras.ru

摘要:

The wave function temporal evolution on the one-dimensional (1D) lattice is considered in the tight-binding approximation. The lattice consists of N equal sites and one impurity site (donor). The donor differs from other lattice sites by the on-site electron energy E and the intersite coupling C. The moving wave packet is formed from the wave function initially localized on the donor. The exact solution for the wave packet velocity and the shape is derived at different values E and C. The velocity has the maximal possible group velocity v = 2. The wave packet width grows with time ~ t1/3 and its amplitude decreases ~ t-1/3. The wave packet reflects multiply from the lattice ends. Analytical expressions for the wave packet front propagation and recurrence are in good agreement with numeric simulations.

关键词: quantum dynamics, tight-binding approximation, charge transport

Abstract:

The wave function temporal evolution on the one-dimensional (1D) lattice is considered in the tight-binding approximation. The lattice consists of N equal sites and one impurity site (donor). The donor differs from other lattice sites by the on-site electron energy E and the intersite coupling C. The moving wave packet is formed from the wave function initially localized on the donor. The exact solution for the wave packet velocity and the shape is derived at different values E and C. The velocity has the maximal possible group velocity v = 2. The wave packet width grows with time ~ t1/3 and its amplitude decreases ~ t-1/3. The wave packet reflects multiply from the lattice ends. Analytical expressions for the wave packet front propagation and recurrence are in good agreement with numeric simulations.

Key words: quantum dynamics, tight-binding approximation, charge transport

中图分类号:  (Biomolecules: structure and physical properties)

  • 87.15.-v
42.15.Dp (Wave fronts and ray tracing)