Numerical analysis of a multiscale finite element scheme for the resolution of the stationary Schrödinger equation

A numerical method for the resolution of the one-dimensional Schrödinger equation with open boundary conditions was presented in N. Ben Abdallah and O. Pinaud (Multiscale simulation of transport in an open quantum system: resonances and WKB interpolation. J. Comp. Phys. 213(1), 288–310 (2006)). The main attribute of this method is a significant reduction of the computational cost for a desired accuracy. It is based particularly on the derivation of WKB basis functions, better suited for the approximation of highly oscillating wave functions than the standard polynomial interpolation functions. The present paper is concerned with the numerical analysis of this method. Consistency and stability results are presented. An error estimate in terms of the mesh size and independent on the wavelength λ is established. This property illustrates the importance of this method, as multiwavelength grids can be chosen to get accurate results, reducing by this manner the simulation time.

[1]  P. Degond,et al.  On a one-dimensional Schrödinger-Poisson scattering model , 1997 .

[2]  Joseph B. Keller,et al.  A hybrid numerical asymptotic method for scattering problems , 2001 .

[3]  F. Nier A Stationary Schrödinger-Poisson System Arising from the Modelling of Electronic Devices , 1990 .

[4]  J. Pöschel,et al.  Inverse spectral theory , 1986 .

[5]  I. Babuska,et al.  Finite Element Solution of the Helmholtz Equation with High Wave Number Part II: The h - p Version of the FEM , 1997 .

[6]  Craig S. Lent,et al.  The quantum transmitting boundary method , 1990 .

[7]  A. Arnold MATHEMATICAL CONCEPTS OF OPEN QUANTUM BOUNDARY CONDITIONS , 2001 .

[8]  N. Abdallah,et al.  QUANTUM PHYSICS; PARTICLES AND FIELDS 4241 On a multidimensional Schrodinger-Poisson scattering model for semiconductors , 2000 .

[9]  Tosio Kato Perturbation theory for linear operators , 1966 .

[10]  Claude Greengard,et al.  A boundary-value problem for the stationary vlasov-poisson equations: The plane diode , 1990 .

[11]  Claudia Negulescu,et al.  An accelerated algorithm for 2D simulations of the quantum ballistic transport in nanoscale MOSFETs , 2007, J. Comput. Phys..

[12]  Ivo Babuska,et al.  Finite Element Solution to the Helmholtz Equation with High Wave Number Part II : The hp-version of the FEM , 2022 .

[13]  Olivier Pinaud,et al.  A mathematical model for the transient evolution of a resonant tunneling diode , 2002 .

[14]  Olivier Pinaud,et al.  Multiscale simulation of transport in an open quantum system: Resonances and WKB interpolation , 2006, J. Comput. Phys..

[15]  Eric Polizzi,et al.  Self-consistent three-dimensional models for quantum ballistic transport in open systems , 2002 .

[16]  Eric Polizzi,et al.  Subband decomposition approach for the simulation of quantum electron transport in nanostructures , 2005 .

[17]  I. Babuska,et al.  Finite element solution of the Helmholtz equation with high wave number Part I: The h-version of the FEM☆ , 1995 .

[18]  M. Fischetti Theory of electron transport in small semiconductor devices using the Pauli master equation , 1998 .

[19]  Eric Polizzi Modélisation et simulations numériques du transport quantique balistique dans les nanostructures semi-conductrices , 2001 .

[20]  William R. Frensley,et al.  Boundary conditions for open quantum systems driven far from equilibrium , 1990 .