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
有较大影响。
} crystal latticeThe 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在光动力学疗法、漂白剂、化剂、电记录、线性光学、致发光、体传感器、致变色、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.
富钙钛锆石型人造岩石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
的长期安全性,是固化高放射性废理想的固化介质。
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型，给出基态子晶格的饱和磁矩.
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