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[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...
[会议论文] 作者：Fangyuan Zhao,Xin Zhao,Bo Peng,Feng Gan,Mengyao Yao,Jie Dong,Qinghua Zhang,
来源：第二届中国(国际)能源材料化学研讨会 年份：2017
The strategy of N-doping in carbon materials could provide additional Li-ion storage sites to improve their electrochemical properties.Hetoroatom-containing polymers could serve as good precursors to...
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