开壳层过渡金属的从头算分子动力学 - Suppr

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Ab initio molecular dynamics for open-shell transition metals.

作者信息

Kresse G, Hafner J

出版信息

Phys Rev B Condens Matter. 1993 Nov 1;48(17):13115-13118. doi: 10.1103/physrevb.48.13115.

DOI:10.1103/physrevb.48.13115

PMID:10007687

Abstract

摘要

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Ab initio molecular dynamics for open-shell transition metals.

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