BORN-MAYER-TYPE INTERATOMIC POTENTIAL FOR NEUTRAL GROUND-STATE ATOMS WITH Z = 2 TO Z = 105

Born-Mayer parameters are given which permit, with good accuracy (to within 6%), a greatly simplified computation of a previously derived interatomic potential, U(R), based on the Thomas-Fermi-Dirac (TFD) approximation. The numerical values of A and b appearing in U(R)=A exp(-bR) are tabulated in two sets of commonly used units for 104 homonuclear pairs of neutral ground-state atoms having Z=2 to Z=105. Approximate lower and upper limits of applicability, Rl and Ru, are also listed, as is the magnitude of the maximum percent error (ε) for each fit. Rl is generally ∼1.5a0(a0=0.529 17), while Ru∼3.5a0. The effective upper limit probably lies at ∼6-8a0. Also, with the aid of the given table and the combining rule U12(U11U22)12, the interaction energies of a total of 5356 heteronuclear diatoms can readily be obtained. © 1969 The American Physical Society.