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Does ProViz compute wavefunctions for molecules?

April 26, 2017compute molecules proviz wavefunctions

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Does ProViz compute wavefunctions for molecules?

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No. The wavefunction for a given molecule has to be obtained in terms of molecular orbitals from an external program like Gaussian, GAMESS. Once this is calculated, ProViz can read that output file (.out, .gam) and calculate various 3D molecular properties.