website stat Chemistry 221: Wrapping Up: Reviewing normalization, orthogonality; A closer look at basis functions

Friday, December 02, 2005

Wrapping Up: Reviewing normalization, orthogonality; A closer look at basis functions

A Mathematica exercise to review the finer points of orthonormality. We explore these concepts by comparing the behaviors of Slater type orbital basis functions and Gaussian basis functions (the latter are widely used in quantum calculations of molecular wavefunctions).

Mathematica notebook with answers

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