Structural Properties of Lanthanide and Actinide Compounds within the Plane Wave Pseudopotential Approach

淡江大學機構典藏 > 理學院 > 化學學系暨研究所 > 期刊論文 > Item 987654321/25237

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Title:	Structural Properties of Lanthanide and Actinide Compounds within the Plane Wave Pseudopotential Approach
Authors:	Pickard, Chris J.;Winkler, Bjorn;Chen, Roger K.;Payne, M. C.;Lee, M. H.;Lin, J. S.;White, J. A.;Milman, V.;Vanderbilt, David
Contributors:	淡江大學化學學系
Date:	2000-12
Issue Date:	2013-07-09 15:27:36 (UTC+8)
Publisher:	College Park: American Physical Society
Abstract:	We show that plane wave ultrasoft pseudopotential methods readily extend to the calculation of the structural properties of lanthanide and actinide containing compounds. This is demonstrated through a series of calculations performed on UO, UO2, UO3, U3O8, UC2, α-CeC2, CeB6, CeSe, CeO2, NdB6, TmOI, LaBi, LaTiO3, YbO, and elemental Lu.
Relation:	Physical Review Letters 85(24), pp.5122-5125
DOI:	10.1103/PhysRevLett.85.5122
Appears in Collections:	[化學學系暨研究所] 期刊論文

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