- 作者: 張志強 ; 陳星逸
- 作者服務機構: 成功大學化學系
- 中文摘要: The oscillator strength has been calculated from a common set of compromised orbitals, instead of sets of the two separately optimized non-orthogonal orbitals for the two states involved in the transition. Inaccuracies of two types arose from the calculations were assessed by investigating simple atomic and molecular systems.
- 英文摘要: --
- 中文關鍵字: Oscillator Strength; Transition Energy; Molecular Orbital
- 英文關鍵字: 振盪子強度;躍遷能量;分子軌域