A general finite element solution of the Schrodinger equation for a onedimensional problem is presented.The solver is applicable to both stationary and time-dependent cases with a general user-selected potential term....A general finite element solution of the Schrodinger equation for a onedimensional problem is presented.The solver is applicable to both stationary and time-dependent cases with a general user-selected potential term.Furthermore,it is possible to include external magnetic or electric fields,as well as spin-orbital and spinmagnetic interactions.We use analytically soluble problems to validate the solver.The predicted numerical auto-states are compared with the analytical ones,and selected mean values are used to validate the auto-functions.In order to analyze the performance of the time-dependent Schrodinger equation,a traveling wave package benchmark was reproduced.In addition,a problem involving the scattering of a wave packet over a double potential barrier shows the performance of the solver in cases of transmission and reflection of packages.Other general problems,related to periodic potentials,are treated with the same general solver and a Lagrange multiplier method to introduce periodic boundary conditions.Some simple cases of known periodic potential solutions are reported.展开更多
文摘A general finite element solution of the Schrodinger equation for a onedimensional problem is presented.The solver is applicable to both stationary and time-dependent cases with a general user-selected potential term.Furthermore,it is possible to include external magnetic or electric fields,as well as spin-orbital and spinmagnetic interactions.We use analytically soluble problems to validate the solver.The predicted numerical auto-states are compared with the analytical ones,and selected mean values are used to validate the auto-functions.In order to analyze the performance of the time-dependent Schrodinger equation,a traveling wave package benchmark was reproduced.In addition,a problem involving the scattering of a wave packet over a double potential barrier shows the performance of the solver in cases of transmission and reflection of packages.Other general problems,related to periodic potentials,are treated with the same general solver and a Lagrange multiplier method to introduce periodic boundary conditions.Some simple cases of known periodic potential solutions are reported.
