搜索结果: 1-1 共查到“能源科学技术 computation”相关记录1条 . 查询时间(0.122 秒)
Assessing the accuracy of the isotropic periodic sum method through Madelung energy computation
isotropic periodic sum method Madelung energy computation
2015/1/7
We tested the isotropic periodic sum (IPS) method for computing Madelung energies of ionic crystals. The performance of the method, both in its nonpolar (IPSn) and polar (IPSp) forms, was compared wit...