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- In this paper, first-principles calculations within the generalized gradient approximation (GGA) are carried out on the band gaps of zigzag SWNTs (7, 0) (8, 0) (9, 0) and (12, 0). 摘要本文采用基于廣義梯度近似(GGA)的第一性原理方法，對鋸齒型單壁破納米管(7,0)、(8,0)、(9,0)、(12,0)的能帶結構和能隙進(jìn)行理論計算。
- The adsorption of Cl_2 molecule on CuCl(111) surface has been studied with periodic slab model by Perdew-Burke-Ernzerh (PBE) approach of the generalized gradient approximation (GGA) within the framework of density functional theory (DFT). 運用廣義梯度密度泛函理論(Generalized Gradient Approximation,GGA)的PBE(Perdew-Burke-Ernzerh)方法結合周期性平板模型,研究了氯氣分子和氯原子在CuCl(111)表面上的吸附。
- In this paper, using the first principles method which base on density function theory(DFT), we calculated the structures and electronic properties of ground states of (CdSe)_n and (HgTe)_n(n=1~7) clusters with the generalized gradient approximation(GGA). 本文采用基于密度泛函理論的第一性原理方法,在GGA 下,計算了團簇(CdSe)_n 和(HgTe)_n n=1 到7 的基態(tài)幾何結構、態(tài)密度、結合能及能隙等。
- The geometric structures and the electronic properties of C_(60)(CF_3)_n(n=2, 4, 6, 10) are studied using the generalized gradient approximation (GGA) based on the density functional theory (DFT). 采用密度泛函理論中的廣義梯度近似，探討了富勒烯衍生物C_(60)(CF_3)_n(n=2、4、6、10)的幾何結構和電子性質(zhì)。
- The main contents are organized as the following:(1) Adsorption of methanol on (111) surface of coinage has been investigated by DFT method, at the generalized gradient approximation (GGA) level. 具體研究?jì)热菁捌浣Y果如下:1采用密度泛函理論(DFT)和廣義梯度積分(GGA)的方法,對甲醇在Cu(111),Ag(111)和Au(111)面四種位置(top, bridge, hcp, fcc)的吸附和解離行為進(jìn)行研究。
- Their common basis in MDA will also promote partial generation of implementation code, but that code, of course, will not be standardized. MDA的公共基礎也會(huì )促進(jìn)部分代碼的生成和實(shí)現,當然這些代碼不是標準化的。
- In host rearing and field investigation, the bug occurs two generations in Beijing in a year and both are partial generations. 茶翅蝽飼養及田間寄生調查結果表明：茶翅蝽在北京地區一年發(fā)生2代，且都是局部世代。
- Partial generalized choroidal dystrophy 部分性泛發(fā)性脈絡(luò )膜變性
- A new silhouette detection method,an approach using extremum of first directional derivative,is proposed based upon a general gradient model. 在虛擬現實(shí)中礦井物體輪廓是很重要的特征。
- Generalized Gradient And Super-Efficient Solution 廣義梯度與超有效解
- generalized gradient approximation 廣義梯度近似
- The research project was only a partial success. 那個(gè)研究課題只取得部分成功。
- generalized gradient development 梯度推移
- The menu option "Adjustments" is only partially generally accessible. 菜單功能“調整”只有部分能夠進(jìn)入。
- generalized gradient projection algorithm 廣義投影梯度算法
- super effcient generalized gradient 超有效廣義梯度
- She is partial to her youngest boy. 她偏愛(ài)她的小兒子。
- The film was only a partial success. 這部電影僅僅是部分成功。
- She's very partial to sweet foods. 她特別喜歡吃甜食。
- I'm very partial to sweet foods. 我非常偏愛(ài)甜食。
