Effects of Semicore Electrons on the Structure of Liquid Rubidium: An ab initio Molecular-Dynamics Simulation

Journal of the Physical Society of Japan

Volumn 67, Issue 10, 1998, Pages 3471-3476

  Shimojo, Fuyuki ^b   Hoshino, Kozo ^b   Zempo, Yasunari ^a  

^a SUMITOMO CHEMICAL CO LTD   (Japan)

^b HIROSHIMA UNIVERSITY   (Japan)

Author keywords

Ab initio calculation; Density functional theory; Electronic s d transition; Liquid metal; Molecular dynamics simulation; Pseudopotential

Indexed keywords

EID: 0032274968     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.67.3471     Document Type: Article

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