第6卷‧第3期,
198207
, pp. 288-291
鋰原子高受激瑞德堡態的自洽場法計算
- 作者:
張志強
- 作者服務機構:
國立成功大學化學系
- 中文摘要:
鋰原子高受激瑞德堡態 S(1s ns)的自洽?波函數可以用廣義布里淵定理方法計算,在計算中總共用十五個未併縮
的高斯軌域,其中六個為擴張型的。算出的六個瑞德堡態的項值與實驗值很符合。
間
- 英文摘要:
The SCF calculations for a series of Rydberg states S(1S ns) of the Li atom have been performedusing the generalized Brillouin theorem method. Fifteen uncontracted primitive GTOs are used as the basisset. Six Rydberg states can be obtained with only six diffuse type GTOs. The agreement with the experi-mental term values is excellent.
- 中文關鍵字:
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- 英文關鍵字:
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