- 作者: 張志強;陳星逸
- 作者服務機構: 國立成功大學化學研究所
- 中文摘要: 計算過渡過程時如果使用'過渡態'的方法,我們可以只計算一個,而不是分?計算兩個波函數。我們應用這一 方法計算了一系列的單電子與雙電子系的過渡過程,此一方法也可以應用到其他的原子與分子系。
- 英文摘要: Instead of calculating wavefunctions of both states involved in a transition, the calculation of a single wavefunction of the transition state can provide all required transition quantities. Systematic calculations of several transitions for one and two electron systems have been probed and the method can readily be applied to more general atomic systems as well as molecular systems.
- 中文關鍵字: oscillator strength; transition diplole momen; atomic and molecular wavefunctions
- 英文關鍵字: --