CE/SE方法在時變量子力學計算的研發

Abstract

本計劃的目標, 是發展一種實用的方法, 來做原子分子物理的時變性非微擾 量子力學計算. 計劃執行過程準備與美國太空署研究中心的張信重及張朝亮 博士合作, 張信重博士於90 年代發展出CE/SE 法, 之後被廣泛應用於複雜 的流體力學計算. CE/SE 法有許多優於其他計算方法之處, 張朝亮博士則有 非常豐富的CE/SE 流體力學計算經驗二位張博士應邀於2007 年八月在本校 舉辦CE/SE 研討會, 因此我們將可獲得二位張博士的協助, 並與國內學者 合作. CE/SE 量子動力學計劃的最終目標, 是開發具備快速、可靠、可作多電子計算 的方法,因而對於實際物理問題, 能夠提供快速精確且可靠的模擬, 進而對於 奈米量子元件的的研發, 可提供有用而迅速的數值模擬.

The goal of the project is to develop a practical method for the nonperturbative time-dependent quantum mechanical problems in atomic molecular physics. The project will cooperate with Dr. Sin-Chung Chang and Dr. Chau-Lyan Chang in NASA research centers. Dr. S C Chang invented the conservation element/solution element (CE/SE) method in 90's. It has been widely used in computational fluid dynamics and has exceptional advantages than other methods. Dr. Chau-Lyan Chang has wide experiences in working with CE/SE method in fluid dynamical problems. After a workshop in our campus in summer 2007, it is possible for us to develop the CE/SE applications to practical quantum physical problems with the expertise helps from Drs. Chang, and from cooperation with people in Taiwan. The ultimate goals for the CE/SE quantum dynamics are fast, reliable, many-particle capable scheme. It will be useful to real systems. The success of the project will have impact on quantum mechanical calculation and will be useful for nano technology as development tool for new devices.