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: Wave functions are central to making predictions in quantum mechanics. By solving the Schrödinger equation, a partial differential equation that describes how the quantum state of a physical system changes over time, one can obtain the wave function of a system.

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for density functional theory (DFT) and Hartree-Fock models.

Visualize molecular orbitals and electrostatic potential maps. Optimize geometry using quantum chemical methods. : Wave functions are central to making predictions

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