A consideration of wettability of liquid metal using ab initio molecular orbital calculation

Seimitsu Kogaku Kaishi/Journal of the Japan Society for Precision Engineering

Volumn 66, Issue 12, 2000, Pages 1906-1910

  Toyota, Hiromichi ^a   Ide, Takashi ^a   Yagi, Hidetsugu ^a   Goto, Hidekazu ^a   Endo, Katsuyoshi ^a   Hirose, Kikuji ^a   Mori, Yuzo ^a  

^a NONE

Author keywords

Ab initio molecular orbital calculation; Binding energy; Interaction energy; Liquid metal; Wettability

Indexed keywords

EID: 30044443523     PISSN: 09120289     EISSN: None     Source Type: Journal    
DOI: 10.2493/jjspe.66.1906     Document Type: Article

References (5)

1. R. B. Ross, J. M. Powers, T. Atashroo, W. C. Ermler, L. A. Lajohn and P. A. Christiansen: Ab initio relativistic effective potentials with spin-orbit operators. IV. Cs through Rn, J. Chem. Phys., 93, (1990) 6654.
2. s. huzinaga: gaussian basis sets for molecular calculations, elsevier, Amsterdam, (1984).