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The wave function, typically represented by the Greek letter psi (ψ), is a complex-valued function that depends on the coordinates of the particles in the system and time. The square of the absolute value of the wave function, |ψ(x)|², gives the probability density of finding a particle at a given point x.
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Generation of electrostatic potential (ESD) maps, molecular orbitals (HOMO/LUMO), and animations of vibrational modes.
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A free, open-source toolkit for creating, editing, and visualizing molecular structures, specifically optimized to interface with the Q-Chem computational package.