与此同时，线性标度的密度泛函理论算法日趋成熟，使得通过密度泛函理论研究诸如生物大分子之类的体系成为可能。
Meanwhile, the linear scaling algorithms of DFT are getting mature, which makes the application of DFT to large systems such as biological macro molecules become possible.
在本论文中我们利用结合了傅里叶光学和非线性光学的泵浦探测4F成像技术研究了克尔液体、有机大分子和半导体的光学非线性动力学。
We use the pump-probe 4F imaging technique combining the Fourier optics and nonlinear optics to study the optical nonlinear dynamics of Kerr liquids, organic macromolecules and semiconductors.
研究了由对硝基苯基偶氮苯类染料与聚环氧氯丙烷经大分子反应合成的含偶氮苯侧基的共聚醚的二阶非线性光学特性。
Some novel copolyethers containing azo benzene chromophors as side chains have been synthesized by a nucleophilic reaction of various azo dyes with polyepichlorohydrin.
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