Many-particle Hamiltonian for open systems with full Coulomb interaction: Application to classical and quantum time-dependent simulations of nanoscale electron devices

摘要: A many-particle Hamiltonian for a set of particles with Coulomb interaction inside an open system is described without any perturbative or mean-field approximation. The boundary conditions the on borders [in real three-dimensional (3D) space representation] are discussed in detail to include between and outside system. provides same electrostatic description obtained from image-charge method, but it has fundamental advantage that can be directly implemented into realistic (classical quantum) electron device simulators via 3D Poisson solver. Classically, solution this coupled Newton-type equations different electric field each particle. quantum-mechanical achieved using quantum (Bohm) trajectory algorithm [X. Oriols, Phys. Rev. Lett. 98, 066803 (2007)]. computational viability algorithms build powerful nanoscale explicitly demonstrated (classical) double-gate field-effect transistor (quantum) resonant tunneling diode. numerical results compared those computed time-dependent showing important quantitative differences.