| Electronic States of Some Semiconductor Clusters |
| |
| 引用本文： | 谭航,冯平义,廖沐真. Electronic States of Some Semiconductor Clusters[J]. 清华大学学报, 1999, 4(2) |
| |
| 作者姓名： | 谭航 冯平义 廖沐真 |
| |
| 作者单位： | TAN Hang(谭 航)，FENG Pingyi(冯平义)，LIAO Muzhen(廖沐真)Center for Advanced Study，Department of Chemistry，Tsinghua University，Beijing 100084; Shanghai Institute of Metallurgy，Shanghai 200050 |
| |
| 摘 要： | ＩｎｔｒｏｄｕｃｔｉｏｎＳｅｍｉｃｏｎｄｕｃｔｏｒｅｌｅｍｅｎｔｓｓｕｃｈａｓｉｎｄｉｕｍａｎｄａｒｓｅｎｉｃｈａｖｅｂｅｅｎｓｔｕｄｉｅｄｅｘｔｅｎｓｉｖｅｌｙ．Ｓｅｖｅｒａｌｔｏｐｉｃｓｓｕｃｈａｓｄｏｐｉｎｇａｎｄｄｅｆｅｃｔ［１５］，ｅｐｉ...
|
Electronic States of Some Semiconductor Clusters |
| |
| TAN Hang,FENG Pingyi,LIAO Muzhen. Electronic States of Some Semiconductor Clusters[J]. Tsinghua Science and Technology, 1999, 4(2) |
| |
| Authors: | TAN Hang FENG Pingyi LIAO Muzhen |
| |
| Abstract: | Potential surfaces and equilibrium geometries of InAs 2, In 2As, InAs 2 and In 2As were studied using the complete active space multi configuration self consistent field (CASMCSCF) technique. Two electronic states, namely 2B 2 and 2B 1, were found to prevail as the ground states for the InAs 2 and In 2As trimers, respectively. The corresponding adiabatic ionization energies were computed and the leading configurations of the ground states were analyzed according to the wavefunctions. |
| |
| Keywords: | electronic state equilibrium geometry semiconductor cluster complete active space multi-configuration self-consistent field (CASMCSCF) |
| 本文献已被 CNKI 万方数据 等数据库收录！ |
