1) second hyperpolarizability
第二超极化率
2) first-order hyperpolarizability
第一超极化率
1.
Their first-order hyperpolarizability β is computed using CPHF/6-31G(d) method.
利用CPHF/6-31G(d)方法计算了分子的第一超极化率β。
3) first hyperpolarizability
第一超极化率
1.
The first hyperpolarizability (β) values were determined by Hyper - Rayleigh Scatt.
设计、合成了以吡啶阳离子为吸电子基团的二维电荷转移非线性光学生色团分子——双四苯硼(反式)-4,4’-二{p-[N-乙基-N-羟乙基)氨基]苯亚乙烯基}-N,N’-(1,2-乙基)-2,2’-联吡啶盐和双四苯硼(反式)-N-己基一咔唑-3,6-二(p-亚乙烯基-N-羟乙基-吡啶盐),利用超瑞利散射技术(HRS)测定了这两种分子的第一超极化率β,在1064nm分别为786×10~(-30)esu和1770×10~(-30)esu。
2.
The first hyperpolarizability and molecular frontier orbit properties of barbituric acid derivatives are studied at HF/6-31G level by coupled perturbed Hartree-Fock(CPHF) method.
采用耦合微扰(CPHF)方法在HF/6-31G水平上对巴比妥酸衍生物的第一超极化率和分子前线轨道性质进行了计算。
3.
The substitute (R) with acceptors and smaller frontier orbital energy gap can effectively increase the first hyperpolarizability of the systems.
利用CPHF/3-21G方法计算了体系的第一超极化率及其它物理性质。
4) Second-order hyperpolarizability
二阶超极化率
1.
The polarizability and second-order hyperpolarizability were calculated by means of a finite-field(FF) method.
采用量子化学密度泛函理论(DFT)B3LYP/6-31G(d)方法对14顶点双取代碳硼烷和金属硼烷几何构型进行优化,结合有限场(FF)方法计算了各体系的极化率和二阶超极化率。
6) Hyperpolarizability
超极化率
1.
Theoretical investigation on dispersion effect and two-photon resonance enhancement of molecular first hyperpolarizability;
有机分子第一超极化率色散效应和双光子共振增强理论研究
2.
Correct target function for hyperpolarizability of per unit cell of long chain molecules when exponential function used to fit;
用指数函数拟合长链分子超极化率时目标函数的选择
3.
Whether the Coordination Number Influence Dependence of Static First Hyperpolarizability on the Atomic Number of Alkali Metal
配体数与电子化物的一阶超极化率的碱金属原子序数依赖性
补充资料：第二
1.复姓。见《通志．氏族四》。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条