CAJ | 학술논문

在相对论有效原子实势（RECP）近似下,用Gausslan98程序研究了AunZn（n=1～8）团簇的各种几何构型,得到它们的基态结构、平均结合能、平均键长,计算了团簇的垂直电离势、电子亲和能及基态能级分布,讨论了团簇的稳定性。
재상대론유효원자실세（RECP）근사하,용Gausslan98정서연구료AunZn（n=1～8）단족적각충궤하구형,득도타문적기태결구、평균결합능、평균건장,계산료단족적수직전리세、전자친화능급기태능급분포,토론료단족적은정성。
This paper is to introduce the research on geometrical configurations of AunZn（n=1～8）clusters by using Gaussian98 program package under relativistic effective core potential（RECP）,getting the ground state structure,the average binding energy and average bond length,and the vertical ionization potential,the electron affinity and the energy level distribution are computerized,and the stability of the ground state AunZn（n=1～8）clusters is also analyzed.