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  1. Quantum Chemistry

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    The Schrödinger Equation and Approximations
    The fundamental equation governing the system is the time-independent, non-relativistic Schrödinger equation. For a collection of nuclei and electrons, the Hamiltonian operator ($\hat{H}$) includes kinetic energy terms for both nuclei and electrons, and potential energy terms describing electron-electron repulsion, [nucleus-nucleus repulsi…
  2. Quantum Chemistry

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    Solving this equation exactly is impossible for any system containing more than one electron due to the complexity of the electron-electron repulsion term.
    The Born-Oppenheimer Approximation