Výsledky vyhledávání - "Xingxing Pang"

Low-lying states of MX2 (M = Ag, Au; X = Cl, Br and I) with coupled-cluster approaches: effect of the basis set, high level correlation and spin–orbit coupling

Autor: Minggang Guo, Xingxing Pang, Zhifan Wang, Fan Wang

Publikováno v: Physical Chemistry Chemical Physics. 22:26178-26188

Theoretical study of coinage metal dihalides is challenging due to their complex electron correlation and relativistic effects, particularly the spin-orbit coupling (SOC) effect. Furthermore, vibrational frequencies and characters of their low-lying

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::0b6f1ea122f231b9876980000b784fac
https://doi.org/10.1039/d0cp04988c

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Photoelectric properties of Mn-doped LiMgP new diluted magnetic semiconductor

Autor: Nan Wu, Ting Chen, Jun Pang, ZhiMin Wu, Jian Xu, XingXing Pang, Yun Peng, ChengXu Du, YuTing Cui, Hong He

Publikováno v: Chinese Science Bulletin. 62:4169-4178

We optimized the geometry structures of Li1± y (Mg1− x Mn x )P for ( x =0.125; y =0, 0.125) by adopting the first-principles calculation of plane wave ultra-soft pseudo-potential technology based upon the density function theory (DFT). Then we cal

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::adf313ec296afc257e29b5f2321f2a9d
https://doi.org/10.1360/n972017-00481

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