计算金属原子半径和动函数的新方法

A NEW METHOD OF CALCULATING ATOMIC RADIUS AND WORK FUNCTION OF METALS

提出了一种新的金属准原子模型，以及原子有效价电子数和等价轨道半径等概念。并用该模型和上述概念来研究和处理金属问题。得到：只要已知金属原子核外电子排布规律，给出金属原子的主量子数和价电子总数，就可对所研究的金属原子有效核电荷数、原子半径、金属自由电子密度、费密能和功函数等参量进行有效的定量计算。按照该理论给出的方法和公式，经对６８种金属原子的半径和功函数，以及１７种金属自由电子密度分别进行了计算，并将所得的计算值与相应的实验值进行比较，结果前两者与实验是符合的，后者也比自由电子模型更接近于实际。事实表明，本文提出的模型和方法是符合金属实际的，在应用上可能是有意义的。

n this paper,a new quasi-atomic model of metal,new concepts of effective va-lence electron number and equavalent orbital radius of atom are put forward.Pro-blems related to metal are studied and analysed by using the model and the conce-pts.Characteristic parameters concerned with metal can be effectively calculated withunder standing the electron distribution of metallic atom,namely the principalquantum number and total number of valence electron of atom.Parameters whichcan be calculated are effective nuclear charge number of atorm,density of free elec-tron,atomic radius,Fermi energy and work function of the metal concerned. Ato-mic radius and work function of 68 metals and density of free electron of 17 me-tals are calculated and compared with experimental values,results show that the for-mer two are both quite in accordance with the experimental results and the latterone is better than the results calculated by free-electron model.Thus it can be seenthat the model and methods are in conformity with the actual situation of metals,and its applications are proved to be reliable.