Numerical Solutions for Schrodingers Equation

Some computer exercises will be discussed briefly in this section. They serve as laboratory exercises for the second semester of physical chemistry sequence when quantum chemistry is taught. These computer exercises are also used in the lecture demonstration format. Sometimes they are given as extended problem assignments. Four software packages are used to various degrees in these exercises BASIC programs, spreadsheet templates, Mathematica, and Mathcad. 

The purpose of this first computer laboratory is to review some of the fundamental concepts from classical physics, to understand what constitutes a solution to a problem in classical physics, and to introduce students to numerical solutions for the Newtonian equations of motion. QuickBASIC programs have been written which use PC graphics to display the trajeaory of an electron in the Thomson plum pudding model of the atom, the Bohr atom, and a classical model for the hydrogen-molecule ion. This early review of classical physics helps students appreciate more fully how fundamentally different quantum theory is. The material in this exercise is frequently used as a leaure demonstration to support a classroom lecture on the precursors to the quantum theory of atomic and molecular structure. 

In spite of the fact that the pedagogical literature in chemistry and physics contains many accounts of the usefulness of numerical methods in teaching quantum theory, traditional physical chemistry textbooks ignore the 

Numerical Solution for SchrOdlnger s Equation for Double Harmonic Oscillator 

NUMERICAL SOLUTIONS TO SCHROEDINGER S EQUATION FOR THE MORSE POTENTIAL 

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