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机译:驾驶光致超快相变的微观力:Irte_2的时间依赖性密度函数理论模拟
State Key Laboratory of Superlattices and Microstructures Institute of Semiconductors Chinese Academy of Sciences Beijing 100083 China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China;
State Key Laboratory of Superlattices and Microstructures Institute of Semiconductors Chinese Academy of Sciences Beijing 100083 China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China Beijing Academy of Quantum Information Sciences Beijing 100193 China;
State Key Laboratory of Superlattices and Microstructures Institute of Semiconductors Chinese Academy of Sciences Beijing 100083 China Center of Materials Science and Optoelectronics Engineering University of Chinese Academy of Sciences Beijing 100049 China Beijing Academy of Quantum Information Sciences Beijing 100193 China;
Materials Science Division Lawrence Berkeley National Laboratory Berkeley California 94720 USA;
机译:了解有机分子中超快激光诱导动态的实时时间依赖性密度函数理论模拟
机译:随时间变化的密度泛函理论的非绝热动力学和时间分辨光电子光谱的仿真:亚苄基苯胺中的超快光开关
机译:激发态质子穿梭在绿色荧光蛋白中的驱动力:本征反应路径的时变密度泛函理论(TD-DFT)研究
机译:时间依赖性密度函数理论与kyrmeforces:变形核中巨大共振的描述
机译:密度泛函理论在分子间力,晶体结构和压力诱导的相变中的分析和应用。
机译:D-π-A型卟啉染料中电荷转移的增强:密度泛函理论(DFT)和时变密度泛函理论(TD-DFT)的研究
机译:纳米结构基底上的流体Cassie-Wenzel转变:宏观力平衡与微观密度泛函理论