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Tool Box for Quantum Chemistry

Those interested in doing mathematics on a computer have an increasingly wide selection of software packages to choose from as noted above. At Saint John s University, Mathematica and Mathcad 3.0 have been used in the [Pg.202]

The trial wavefunction is a linear combination of the eigenfunctions for the particle in the box problem. [Pg.205]

Plot wavefunction and wavefunction squared for ground-state. x =0,.02,. 1 ai-A/2-sm[i-)fx] [Pg.205]


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