English  |  正體中文  |  简体中文  |  Items with full text/Total items : 51296/86402 (59%)
Visitors : 8153580      Online Users : 90
RC Version 7.0 © Powered By DSPACE, MIT. Enhanced by NTU Library & TKU Library IR team.
Scope Tips:
  • please add "double quotation mark" for query phrases to get precise results
  • please goto advance search for comprehansive author search
  • Adv. Search
    HomeLoginUploadHelpAboutAdminister Goto mobile version
    Please use this identifier to cite or link to this item: http://tkuir.lib.tku.edu.tw:8080/dspace/handle/987654321/25237


    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

    Files in This Item:

    File Description SizeFormat
    index.html0KbHTML126View/Open
    PhysRevLett.85.5122.pdf74KbAdobe PDF143View/Open

    All items in 機構典藏 are protected by copyright, with all rights reserved.


    DSpace Software Copyright © 2002-2004  MIT &  Hewlett-Packard  /   Enhanced by   NTU Library & TKU Library IR teams. Copyright ©   - Feedback