轻稀土金属原子对电势的理论计算

Acta Physica Sinica (overseas Edition) Pub Date : 1999-11-01 DOI:10.1088/1004-423X/8/11/001

Yang Shi-qing, Zhang Wenxu, Gong Jie, Zhang Wanli, Wang Hao-cai

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引用次数: 0

摘要

为了计算具有双六方密排(dhcp)晶体结构的轻稀土金属原子间的对电势，提出了双六方密排(dhcp)晶体结构的Mobius反演变换公式。用此公式计算了轻稀土原子的对势。这些对势可拟合为解析莫尔斯型势表达式。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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THEORETICAL CALCULATION ON THE PAIR POTENTIALS BETWEEN LIGHT RARE-EARTH METALLIC ATOMS

In order to calculate the pair potentials between light rare-earth metallic atoms with double hexagonal close-packed (dhcp) crystal structure, a Mobius inversion transform formula for the dhcp structure is proposed. The pair potentials for the light rare-earth atoms are calculated by this formula. These pair potentials are fitted to the analytic Morse-type potential expressions.

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Acta Physica Sinica (overseas Edition)

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