Separation of Rotational Coordinates from the N-Electron Diatomic Schrödinger Equation

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Abstract
A formalism is presented for the exact separation of the center‐of‐mass and rotational coordinates from the Schrödinger equation for an arbitrary diatomic system. The use of operator arguments instead of the explicit representations of the rotation group simplifies the procedure. The coupled equations governing the internal motion of the system are obtained and expressed in a new and particularly simple form using angular‐momentum raising and lowering operators. The formalism is carried out for three types of electronic coordinates (separated atom, center of mass of nuclei, and geometric center of nuclei) which differ as to the origin of the electronic coordinates.

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