Numerical Methods

Techniques for solving Schrödinger equation numerically has been presented in this chapter. Simple algorithms are discussed for solving differential Schrödinger equation subject to boundary conditions, obtaining eigen value and corresponding normalized eigen function. Second order differential equation is solved by fourth order Runge-Kutta method. Numerical solution of continuity condition and integration by trapezoidal and Simpson rule for normalization of solution discussed. Algorithms for solution of matrix eigen value equation by diagonalizing a real symmetric matrix has also been presented.