Abstract
The potential (force) constant of a diatomic molecule is applied to determine the molecular energy components such as the electronic kinetic ( T) and electrostatic potential ( V) energies. The theoretical framework of the method is constructed from T and V representations of the quantum mechanical virial theorem. To confirm the utility of the method developed here, the calculated molecular energy components of diatomic molecules are compared with available Hartree-Fock data. It is concluded that the present method is simple and powerful for evaluating the molecular energy components of various diatomic molecules.
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