| MgO分子的电子能级和势能曲线的MS-X_α计算 |
| |
| 引用本文： | 何文健,沈国土,黄英鹏,王海鹏,朱小怡,林远齐,杨宝成,潘为宙,王行恒,管建敏.MgO分子的电子能级和势能曲线的MS-X_α计算[J].上海师范大学学报(自然科学版),1993(1). |
| |
| 作者姓名： | 何文健 沈国土 黄英鹏 王海鹏 朱小怡 林远齐 杨宝成 潘为宙 王行恒 管建敏 |
| |
| 作者单位： | 华东师范大学物理系，华东师范大学物理系，华东师范大学物理系，华东师范大学物理系，华东师范大学物理系，华东师范大学物理系，华东师范大学物理系，华东师范大学计算中心，华东师范大学计算中心，华东师范大学计算中心 |
| |
| 摘 要： | 本文采用自旋极化的MS-X_α方法计算了MgO分子的电子能级和势能曲线,得到部分尚未有实验数据的激发态,并用C-K电荷分配法计算了该分子的部分单电子物理性质。
|
| 关 键 词： | MgO 势能曲线 X_α |
MS-X_a Calculation of Electronic Energy levels of Potential Curves of Molecule MgO |
| |
| WENGJIAN SHEN GUOTU HUANG YINGPENG WANG HAIPENG ZHU XIAOYI LING YUANQI YANG BAOCHENG.MS-X_a Calculation of Electronic Energy levels of Potential Curves of Molecule MgO[J].Journal of Shanghai Normal University(Natural Sciences),1993(1). |
| |
| Authors: | WENGJIAN SHEN GUOTU HUANG YINGPENG WANG HAIPENG ZHU XIAOYI LING YUANQI YANG BAOCHENG |
| |
| Institution: | WENGJIAN SHEN GUOTU HUANG YINGPENG WANG HAIPENG ZHU XIAOYI LING YUANQI YANG BAOCHENG (Physics Department) PAN WEIZHOU WANG XINGHENG GUAN JIANMIN (Computer Center) |
| |
| Abstract: | A spin-unrestricted MS-X_a calculation for the electronic energy-levels and the potential curves of the molecule MgO is conducted. A few new comparatively high excited levels are obtained for which no experimental data are available. Some one-electron properties of the molecule are also calculated by using C-K charge distribution method. |
| |
| Keywords: | |
| 本文献已被 CNKI 等数据库收录！ |
