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  • Artificial Intelligence Solves Schrödinger’s Equation, a Fundamental Problem in Quantum Chemistry

    01/02/2021 8:54:00 PM PST · by BenLurkin · 79 replies
    SciTechDaily ^ | January 2, 2021 | Freie Universität Berlin
    Central to both quantum chemistry and the Schrödinger equation is the wave function – a mathematical object that completely specifies the behavior of the electrons in a molecule. The wave function is a high-dimensional entity, and it is therefore extremely difficult to capture all the nuances that encode how the individual electrons affect each other. Many methods of quantum chemistry in fact give up on expressing the wave function altogether, instead attempting only to determine the energy of a given molecule. This however requires approximations to be made, limiting the prediction quality of such methods. Other methods represent the wave...