| LCAO—SCF方法中的非线性积分方程 |
| |
| 引用本文： | 陈式刚.LCAO—SCF方法中的非线性积分方程[J].物理学报,1962,18(11):553-557. |
| |
| 作者姓名： | 陈式刚 |
| |
| 摘 要： | 本文推广了Roothaan的原子轨道线性组合自洽场方法,用以处理无限长的具有共轭双键系统的分子的电子能谱。文中得到一组非线性积分方程,并讨论了方程及其解的性质,尤其是能否有特异解的存在的问题,以及线性化的方法与有关的近似解法。
|
| 收稿时间： | 1961-10-09 |
ON THE NON-LINEAR INTEGRAL EQUATIONS IN LCAO-SCF METHOD |
| |
| CHEN SHIH-KANG.ON THE NON-LINEAR INTEGRAL EQUATIONS IN LCAO-SCF METHOD[J].Acta Physica Sinica,1962,18(11):553-557. |
| |
| Authors: | CHEN SHIH-KANG |
| |
| Abstract: | Roothaan's LCAO-SCF method is extented to the problem of an infinite long-chain, conjugated molecule. A system of non-linear integral equation is obtained. The nature of the equation as well as the question of the existence of anomalous solutions are discussed. Finally, we suggest a methed of linearization and approximations. |
| |
| Keywords: | |
| 本文献已被 CNKI 等数据库收录！ |
| 点击此处可从《物理学报》浏览原始摘要信息 |
| 点击此处可从《物理学报》下载免费的PDF全文 |
|
