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Recently, computer algebra systems, such as MathCad, Mathematica, and Maple, have been adapted to facilitate learning in the quantum mechanics portion of physical chemistry. For example, the graphics capabilities have been used to examine wavefunctions and their probabilities, as well as atomic and molecular orbitals. The computational abilities of computer algebra systems have been used to explore overlap integrals and the solution of the Schrödinger equation involving the Morse potential. Furthermore, Rioux has shown how MathCad can be used throughout quantum mechanics to find numerical solutions to the Schrödinger equation and solve other types of problems as well. As a further example of integrating computer algebra systems into physical chemistry, the use of Mathematica to study the one-dimensional harmonic oscillator is discussed.
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