摘要
在绘制势箱和氢原子体系波函数、电子云图形的基础上,进一步提出双原子分子一氢分子离子(H_2^+)波函数和电子云图形的绘制方法,结合图形从能量、波函数、电子云分布的角度,直观地说明了H_2^+能够稳定成键的原因。
With development of computer＇s methods and functions, the users could create program and draw pictures by the microcomputers. It became possible to study complicated Chemical Bond. Because of this, based on the work before in creating and drawing box, waves function in atoms and electron cloud pictures. This paper we have studied drawing the waves function in H2^＋ and the way of drawing the electron cloud pictures, and give drawing picture program and some examples for drawing picture program, do some discussion for the chemical bond with the help of the pictures. From the energy, the waves function and the distribution of the electron cloud, explaining the reason why the H2^＋ could produce a stable chemical bond directly.
出处
《计算机与应用化学》
CAS
CSCD
北大核心
2006年第9期885-888,共4页
Computers and Applied Chemistry
关键词
H2^+
波函数
电子云
图形
H2^＋, waves function, electron cloud, picture
