標題: 以Octopus軟體研究光與分子的作用
Study of laser pulse on molecules by Octopus
作者: 林唯新
Lin, Wei-Hsin
江進福
Jiang, Tsin-Fu
物理研究所
關鍵字: 分子;強場;高次諧波產生;密度函數理論;molecule;intense laser pulse;high order harmonic generation;density functional theory
公開日期: 2015
摘要: 在原子分子領域裡,關於原子分子的模擬計算一直都是一個大功課。密度泛函理論為一個有效的解決方法,然而密度泛函理論相當複雜,在程式語言的編寫中有其困難度,所以我使用Octopus軟體,一個免費的套件軟體,可以用密度泛函理論處理原子分子的問題。 在本論文先討論了H2+與N2等各個系統在強雷射場下的結果,並且與期刊上的論文做比較,得出一致的成果,然後再依此軟體做允許原子核移動(非波恩奧本海默)的研究,最後再以庫倫爆炸做討論。
Research in many-electron system is always a hard topic . Fortunately, density functional theory(DFT) is a good way to work , but we know that DFT is a complex theory, it is hard to program. Here, I will use a free software-Octopus Code. It can solve some problems with DFT. In these thesis, I will reproduce some results of intense laser pulse on simple diatomic molecules from published papers , and present some results of non-Born-Oppenheimer approximation model . Finally , I will discuss the results about coulomb explosion .
URI: http://140.113.39.130/cdrfb3/record/nctu/#GT070252731
http://hdl.handle.net/11536/126744
顯示於類別:畢業論文