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  1. Gradient Vector

    Linked via "generalized coordinates"

    Applications in Potential Energy Surfaces (PES)
    In chemistry and mechanics, the potential energy function $V(\mathbf{q})$ of a molecular system is often visualized as a PES's, where $\mathbf{q}$ represents the generalized coordinates's (e.g., bond lengths and angles).
    The gradient's of the potential energy, $\nabla V$, yields the negativ…