论文信息 - Extended Thomas-Fermi approach to diatomic systems☆

Extended Thomas-Fermi approach to diatomic systems☆

Abstract An accurate, analytical approximation to the solution of the TFDW equation for two-centre boundary conditions is presented. Correlation diagrams can then be calculated with an effective single-particle potential derived from the TFDW density. Total energies and orbital energies for the N-N system are compared with corresponding HF results.

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