离子键分子振-转能级与光谱  

The analytical solution of the ionic bond molecules level and spectra

作　　者：李重石[1] 陈永红[1] 李勇[1] 

机构地区：[1]伊犁师范学院,新疆伊宁市835000

出　　处：《大学物理》2014年第8期21-24,共4页College Physics

基　　金：新疆伊犁哈萨克自治州教育局规划项目(YLI 10032)资助

摘　　要：对离子键分子内部势能函数进行了几何与物理分析,全面分析了4种分子键的贡献,克服了仅考虑马德隆势的不足,引入极化势与范德华势,建立了较全面精准适用的离子相互作用能量函数.求解了相应薛定谔方程,并引入了马德隆势的能量表象的Kramer公式,导出了能级的解析解.对氯化钠分子基态能量和基跃迁频率作了计算,其结果与实验值很好的符合.量子力学,量子理论是本科教学重要基础,本文在加深微扰论、表象理论、算符矩阵运算和矩阵元计算等内容的理解与应用是具体生动的,对本科生今后从事教学(大学)和升入更深层次的学习是很重要的.The ionic bonding molecular internal potential energy functions are analyzed from viewpoint of geometry and physics, the four kinds of molecular bond contributions are compered. This overcomes the lack of consideration of the Madelung potential. The polarization potential and the Fan De-hua potential and then a more comprehensive application of ion precise interaction energy functions are obtained. The energy representation of Madelung potential is also introduced by comparative method and the Kramer formula is obtained. The Schrodinger equation is solved and the analytical solution of energy level is obtained. The Nacl state energy and its based transition frequency are calculated, and the results are in good agreement with experimental values.

关 键 词：离子键分子 RittneR势能函数 F-H定理 马德隆势能量表象 Kramer递推公式 

分 类 号：O561[理学—原子与分子物理]