https://doi.org/10.1351/goldbook.08706
Kinetic energy of the molecule as a function of the displacements of the atoms from equilibrium positions. For Cartesian displacement coordinates ( ), where the sum is over all atoms and , etc., are the displacement velocities. For internal coordinates where and are the row and column vector, respectively, of the , and are the row and column vector, respectively, of the momenta conjugate to the , is the inverse of the matrix and is the element of . The elements of the matrix are defined by where and relate the and internal coordinate to the Cartesian coordinate through the equation in which is the column vector of the Cartesian coordinates.