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[会议论文] 作者：Daoling Peng,Markus Reiher,
来源：第七届国际理论化学、分子模拟和生命科学研讨会暨科学计算和模拟软件发展平台学术交流会 年份：2013
We present an efficient algorithm for relativistic exact-decoupling[1] calculations.Spin-orbit coupling is taken into account for the evaluation of relativi...
[会议论文] 作者：Daoling Peng,Jianyi Ma,Wenjian Liu,
来源：The International Conference on Theory and Applications of C 年份：2008
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[会议论文] 作者：Abing Duan,Daoling Peng,FengLong Gu,
来源：The 15th ICQC International Congress of Quantum Chemistry(第1 年份：2015
In this presentation,we report the two-component relativistic density functional theory(DFT) calculations within the exact two-component(X2C) frameworks for the...
[会议论文] 作者：Liang Peng,Daoling Peng,Feng Long Gu,Weitao Yang,
来源：第十三届全国量子化学会议 年份：2017
A linear scaling method based on non-orthogonal localized molecular orbitals(NOLMO)has been proposed.NOLMOs are the most localized representation of electro...
A TDDFT Approach for Calculating Frequency Dependent Polarizabilities and Excitation Energies with N
[会议论文] 作者：Daoling Peng,Liang Peng,Feng Long Gu,Weitao Yang,
来源：第十三届全国量子化学会议 年份：2017
Time dependent density functional theory(TDDFT)is a useful tool to calculate molecular properties with reasonable computational costs comparing to wave function based ab initio approaches.A linear sca...
Demonstration of biophoton-driven DNA replication via gold nanoparticle-distance modulated yield osc
[期刊论文] 作者：Na Li,Daoling Peng,Xianjing Zhang,Yousheng Shu,Feng Zhang,Lei Jiang,Bo Song,
来源：纳米研究（英文版） 年份：2021
Biologically,there exist two kinds of syntheses:photosynthesis and ATP-driven biosynthesis.The light harvesting of photosynthesis is known to achieve an efficie...
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