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- Born-Oppenheimer approximation [r]: A technique in quantum mechanics in which the kinetic energies of nuclei and electrons are calculated separately. [e]
- Diagonal matrix [r]: A square matrix which has zero entries off the main diagonal. [e]
- GF method [r]: Method to compute the normal coordinates of a vibrating molecule. [e]
- Molecular Hamiltonian [r]: Quantum mechanical operator describing the energy associated with motions and interactions of the electrons and nuclei that constitute a molecule. [e]
- Molecule [r]: An aggregate of two or more atoms in a definite arrangement held together by chemical bonds. [e]
- Rigid rotor [r]: A 3-dimensional rigid object rotating around its center of mass. [e]
