On a family of finite-difference schemes with approximate transparent boundary conditions for a generalized 1D Schrödinger equation (Q1042715)

The authors consider the Schrödinger equation \(i\hbar\rho{\partial\psi\over\partial t}= K\psi\) for \(x> 0\), \(t> 0\), subject to initial condition \(\psi|_{t=0}= \psi_0(x)\) and boundary conditions at zero and at infinity. Here \(i\) is the imaginary unit, \(\hbar\) is a physical constant, \(K\) is the Hamiltonian operator, \(K\psi:= -{\hbar^2\over 2} {\partial\over\partial x}({\partial\psi\over\partial x})+ V\psi\). The functions \(\rho\), \(B\), \(V\) are real-valued and such that \(\rho(x)\geq \rho> 0\), \(B(x)\geq B> 0\). Moreover, it is assumed that for some \(X_0> 0\), \(\rho(x)= \rho_\infty> 0\), \(B(x)= B_\infty> 0\), \(V(x)= V_\infty\), \(\psi^0(x)= 0\) for \(x\geq X_0\). On a (in general non-uniform) mesh the authors construct a family of six-point symmetric finite-difference approximations with a parameter \(\theta\)-depending averaging in \(x\) to the above problem. Several special schemes, for various choices of \(\theta\), are included in this family, e.g. Crank-Nicolson scheme and finite element scheme for linear in \(x\) elements. The approximations are coupled with an abstract approximate transparent boundary conditions (TBC). For some range of \(\theta\) two stability results with respect to initial data and a free term to an approximation scheme are proved. Next the discrete TBCs are considered, stability bounds are obtained and existence-uniqueness result to a solution to a discrete problem (again for a range of \(B\)) are proved. Detailed numerical examples are given.