Counterpoise correction is not useful for short and Van der Waals distances but may be useful at long range XW Sheng, L Mentel, OV Gritsenko, EJ Baerends Journal of computational chemistry 32 (13), 2896-2901, 2011 | 61 | 2011 |
Analyzing and modeling the interaction potential of the ground-state beryllium dimer XW Sheng, XY Kuang, P Li, KT Tang Physical Review A 88 (2), 022517, 2013 | 40 | 2013 |
A combining rule calculation of the ground state van der Waals potentials of the mercury rare-gas complexes XW Sheng, P Li, KT Tang The Journal of chemical physics 130 (17), 174310, 2009 | 37 | 2009 |
A natural orbital analysis of the long range behavior of chemical bonding and van der Waals interaction in singlet H2: The issue of zero natural orbital occupation numbers XW Sheng, ŁM Mentel, OV Gritsenko, EJ Baerends The Journal of chemical physics 138 (16), 164105, 2013 | 21 | 2013 |
On the formulation of a density matrix functional for Van der Waals interaction of like-and opposite-spin electrons in the helium dimer ŁM Mentel, XW Sheng, OV Gritsenko, EJ Baerends The Journal of chemical physics 137 (20), 204117, 2012 | 11 | 2012 |
Investigation of the local structure and EPR spectra for Nd< sup> 3+</sup> in Bi< sub> 4</sub> Ge< sub> 3</sub> O< sub> 12</sub> H Li, XY Kuang, CG Li, ZH Wang, XW Sheng Chemical Physics Letters 557, 182-185, 2013 | 8* | 2013 |
Calculating and Modeling the Exchange Energies of Homonuclear and Heteronuclear Alkali Dimers Based on the Surface Integral Method YM Chen, XY Kuang, XW Sheng, XZ Yan The Journal of Physical Chemistry A, 2014 | 7 | 2014 |
Investigation of Carbon Monoxide Adsorption on Cationic Gold-Palladium Clusters YM Chen, XY Kuang, XW Sheng, HQ Wang, P Shao, MM Zhong ZEITSCHRIFT FUR NATURFORSCHUNG SECTION AA JOURNAL OF PHYSICAL SCIENCES 68 …, 2013 | 5 | 2013 |
基于 C 语言的等效电子耦合原子态的编程计算 盛晓伟, 余春日, 司昌俊, 宋崇刚, 董光辉, 过申兵 光谱实验室 24 (3), 2007 | 2 | 2007 |
高压下 ErNi_2B_2C 弹性性质, 电子结构和热力学性质的第一性原理研究 颜小珍, 邝小渝, 毛爱杰, 匡芳光, 王振华, 盛晓伟 物理学报 10, 061, 2013 | 1 | 2013 |
用修正的 TT 势模型计算 He—He 原子间近程相互作用势 牛娜, 李萍, 盛晓伟, 彭金风 原子与分子物理学报 28 (2), 213-216, 2011 | | 2011 |