One-Photon Spectra of CdSe Quantum Dots Calculated using Time-Dependent Density Functional Theory

机译：基于时变密度泛函理论计算的CdSe量子点的单光子光谱

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We present calculations of one-photon absorption (OPA) spectra for (CdSe)_n (up to n = 34) quantum dots, carried out using time-dependent density functional theory. The effects of cluster size on OPA spectra are discussed and compared with experiment to provide preliminary insights into the formation of stable clusters.

机译：我们介绍了使用时变密度泛函理论进行的（CdSe）_n（最多n = 34）个量子点的单光子吸收（OPA）光谱的计算。讨论了团簇大小对OPA光谱的影响，并与实验进行了比较，从而为稳定团簇的形成提供了初步见识。

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《Conference on quantum dots, particles, and nanoclusters VI; 20090125-28; San Jose, CA(US)》|2009年|P.722410.1-722410.7|共7页
会议地点 San Jose CA(US)
作者
Kiet A. Nguyen; Paul N. Day; Rodion V. Belosludov; Yoshiyuki Kawazoe; Ruth Pachter;
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作者单位

Air Force Research Laboratory, Wright-Patterson Air Force Base OH 45433, USA UES, Inc., Dayton OH 45432, USA;

Air Force Research Laboratory, Wright-Patterson Air Force Base OH 45433, USA General Dynamics Information Technology, Inc., 3211 Fairfax VA 22030;

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原文格式 PDF
正文语种 eng
中图分类材料;
关键词
quantum dot; nanoparticle; time-dependent density functional theory; CdSe;

机译：量子点纳米粒子时变密度泛函理论CdSe;

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4. One-Photon Spectra of CdSe Quantum Dots Calculated using Time-Dependent Density Functional Theory [C] . Kiet A. Nguyen, Paul N. Day, Rodion V. Belosludov, SPIE Conference on Quantum dots, Particles, and Nanoclusters . 2009

机译：使用时间依赖性密度泛函理论计算CDSE量子点的单光子光谱
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One-Photon Spectra of CdSe Quantum Dots Calculated using Time-Dependent Density Functional Theory

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