Abstract

In order to remedy the well-known defect of the Thomas-Fermi-Dirac (TFD) theory which in its usual treatment fails to give a stable binding state of a molecule, the Weizsäcker correction multiplied by a constant weighting factor λ (=1/5) is introduced as a quantum correction. Numerical calculations to solve this extended TFD equation are carried out for the nitrogen molecule, and it is shown that the TFD model with the modified Weizsäcker correction surely yields an energetically stable molecule. The calculated values of the dissociation energy D e and of the equilibrium internuclear distance R e are 0.342 a.u. and 2.425 a.u., respectively. These values are in good agreement with experiment.

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