Quantum chemistry

Chemistry based on quantum physics

Quantum chemistry, or molecular quantum mechanics, is a branch of physical chemistry which applies quantum mechanics to chemical systems to predict physical and chemical properties of molecules and materials. It often involves calculating electronic wave functions at the atomic level. These calculations make approximations to make simulations computationally feasible while capturing the relevant contributions to the computed wave functions and observable properties including the structures, spectra, and thermodynamics of a system.

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