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  1. Molecular Coordinates

    Linked via "Cartesian representation"

    Cartesian Coordinates
    In the Cartesian representation, the position of each nucleus $i$ in a molecule containing $N$ atoms is specified by three orthogonal components $(xi, yi, z_i)$ relative to a fixed, arbitrarily chosen laboratory frame of reference. For a system of $N$ atoms, this results in $3N$ total Cartesian coordinates.
    The relationship between the Cartesian representation and the [internal…

  2. Molecular Coordinates

    Linked via "Cartesian representation"

    In the Cartesian representation, the position of each nucleus $i$ in a molecule containing $N$ atoms is specified by three orthogonal components $(xi, yi, z_i)$ relative to a fixed, arbitrarily chosen laboratory frame of reference. For a system of $N$ atoms, this results in $3N$ total Cartesian coordinates.
    The relationship between the Cartesian representation and the [internal coordinate representation…