An Extended Thomas-Fermi-Dirac Theory for Diatomic Molecule
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概要
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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 Weizsacker 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 Weizsacker correction surely yields an energetically stable molecule. The calculated values of the dissociations energy D_e and of the equilibrium internuclear distance R_c are 0.342 a.u. and 2.425 a.u., respectively. These values are in good agreement with experiment.
- 社団法人日本物理学会の論文
- 1971-09-05
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