高圧力の科学と技術
Online ISSN : 1348-1940
Print ISSN : 0917-639X
特集-第一原理計算による高圧分子固体の探究-
高圧固体水素の第一原理計算
長柄 一誠
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ジャーナル フリー

2003 年 13 巻 3 号 p. 204-211

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Compressed solid hydrogens are introduced with the basic property of the hydrogen molecule. Starting from a brief introduction of old calculations, first-principles calculations of compressed hydrogens and their results are reviewed with some of our results of calculations based on the local density approximation (LDA). The probable structures over 150 GPa and the effects of the zero-point motion of the nuclei on those structures are discussed. The structures are also examined from the view point of electronic band structure. The problems remaining for the future studies of compressed hydrogens are summarized.

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© 2003 日本高圧力学会
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