Chou Chia-Chun, Wyatt Robert E
Institute for Theoretical Chemistry and Department of Chemistry and Biochemistry, The University of Texas at Austin, Austin, Texas 78712, USA.
Phys Rev E Stat Nonlin Soft Matter Phys. 2011 Nov;84(5 Pt 2):056707. doi: 10.1103/PhysRevE.84.056707. Epub 2011 Nov 23.
The scattered wave formalism developed for a quantum subsystem interacting with reservoirs through open boundaries is applied to one- or two-dimensional barrier scattering and quantum transistors. The total wave function is divided into incident and scattered components. Markovian outgoing wave boundary conditions are imposed on the scattered or total wave function by either the ratio or polynomial methods. For barrier scattering problems, accurate time-dependent transmission probabilities are obtained through the integration of the modified time-dependent Schrödinger equations for the scattered wave function. For quantum transistors, the time-dependent transport is studied for a quantum wave packet propagating through the conduction channel of a field effect transistor. This study shows that the scattered wave formalism significantly reduces computational effort relative to other open boundary methods and demonstrates wide applications to quantum dynamical processes.
为通过开放边界与储能器相互作用的量子子系统开发的散射波形式理论被应用于一维或二维势垒散射和量子晶体管。总波函数被分为入射和散射分量。通过比率法或多项式法对散射波函数或总波函数施加马尔可夫出射波边界条件。对于势垒散射问题，通过对散射波函数的修正含时薛定谔方程进行积分，得到精确的含时传输概率。对于量子晶体管，研究了量子波包在场效应晶体管的传导通道中传播时的含时输运。这项研究表明，相对于其他开放边界方法，散射波形式理论显著减少了计算量，并证明了其在量子动力学过程中的广泛应用。
