The calculated values are affected by lattice constant, selection of pseudopotential and selection of exchange-correlation energy.
晶格参数的优化、赝势的选取和交换关联项的选择都对计算结果有较大影响。
The calculated values are affected by lattice constant, selection of pseudopotential and selection of exchange-correlation energy.
晶格参数的优化、赝势的选取和交换关联项的选择都对计算结果有较大影响。
The applications of the phthalocyanines in photodynamics therapy, light bleacher, catalysts, disc, nonliner optical proper-ity, electroluminace, gas sensor, electrochromic was reported in detail.
简要介绍了酞菁化合物在光动力学疗法、漂白剂、化剂、电记录、线性光学、
发光、体传
、变色、机超晶格等
面的应用。
Radioactive nuclides are solidified at crystal lattice as one part of crystalloid by zirconolite-rich synroc, which greatly enhances the long-term safety of radioactive waste disposing.
富钙钛
人造岩将放射性核素固定在其晶格中作为晶体的一部分固定起来,大大提高了放射性废物处置的长期安全性,是固化高放射性废物理想的固化介质。
In this paper,according to ground state energy,microcosmic spin configuration of ground state of three sublittice is discussed,saturated magnetic moment of each sublattice in ground state is given.
根据基态能量，讨论基态的自旋微观构，给出基态子晶格的饱和磁矩.
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