IMPROVEMENT ON SLATER’S ATOMIC ORBITALS CALCULATION

<正> Slater’s atomic orbital formula, widely used in quantum chemical calculations, contains the term of effective nuclear charge Z=Z’-σ. The method for calculation of Z was proposed by Slater, and improved upon by K. S. Hsu (徐光宪), and various other calculation rules were also suggested by other authors. But all the calculation rules consider the screening coefficients of the corresponding orbitals of different atoms the same. In fact, however, owing to the dependence of the atomic orbitals on Z’, they must be different for different Z’ values. This is what we want to prove in our researches.