New Method Applicable to Study Solid Compounds with Multiple Polyhedral Structures
new direct summation method, named as polyhedron method, is proposed to calculate Madelung energy. This method calculates sums of electrostatic interactions over sets of neutral polyhedron unit pairs rather than conventional ion pairs; this gives Madelu
new direct summation method, named as polyhedron method, is proposed to calculate Madelung energy. This method calculates sums of electrostatic interactions over sets of neutral polyhedron unit pairs rather than conventional ion pairs; this gives Madelu
Li, J、Chen, ZL
物理学化学
RYSTAL-STRUCTURE PREDICTIONLITHIUM-ION BATTERIESAUGMENTED-WAVE METHODMADELUNG CONSTANTSMOLECULAR-DYNAMICSX-RAYELECTROSTATICSTRANSITIONPRINCIPLESINTERFACES
Li, J,Chen, ZL.New Method Applicable to Study Solid Compounds with Multiple Polyhedral Structures[EB/OL].(2017-04-06)[2025-08-02].https://chinaxiv.org/abs/201704.00079.点此复制
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