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Topic|title=Density Mixing|show={{{1}}}
}}{{
Reference|key=broyden:mc:1965|show={{{1}}}|
Reference|key=broyden:mc:1965|show={{{1}}}|
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bib=C. G. Broyden, Math. Comput. '''19''', 577 (1965)|
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}}{{
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}}{{
Reference|key=johnson:prb:1988|show={{{1}}}|
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bib=D.D. Johnson, Phys. Rev. B '''38''', 12807 (1988)|
bib=D. D. Johnson, Phys. Rev. B '''38''', 12807 (1988)|
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}}{{
}}{{
Line 25: Line 23:
}}{{
}}{{
Reference|key=kresse:cms:1996|show={{{1}}}|
Reference|key=kresse:cms:1996|show={{{1}}}|
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Reference|key=kerker:prb:1981|show={{{1}}}|
bib=G.P. Kerker, Phys. Rev. B '''38''', 12087 (1981)|
link=https://doi.org/10.1103/PhysRevB.23.3082
}}{{
Topic|title=MetaGGAs|show={{{1}}}
}}{{
}}{{
Reference|key=sun:prb:11|show={{{1}}}|
Reference|key=sun:prb:11|show={{{1}}}|
Line 39: Line 31:
}}{{
}}{{
Reference|key=sun:natm:16|show={{{1}}}|
Reference|key=sun:natm:16|show={{{1}}}|
bib=J. Sun, et al., Nature Chemistry '''8''', 831–836 (2016).|
bib=J. Sun, R. C. Remsing, Y. Zhang, Z. Sun, A. Ruzsinszky, H. Peng, Z. Yang, A. Paul, U. Waghmare, X. Wu, M. L. Klein, and J. P. Perdew, Nat. Chem. '''8''', 831 (2016).|
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}}{{
}}{{
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}}{{
}}{{
Reference|key=sun:jcp:12|show={{{1}}}|
Reference|key=sun:jcp:12|show={{{1}}}|
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}}{{
Reference|key=sun:jcp:13|show={{{1}}}|
Reference|key=sun:jcp:13|show={{{1}}}|
bib=J. Sun, R. Haunschild, B. Xiao, I. W. Bulik, G. E. Scuseria and J. P. Perdew, J. Chem. Phys. '''138''', 044113 (2013).|
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link=https://doi.org/10.1063/1.4789414
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}}{{
Reference|key=becke:jcp:06|show={{{1}}}|
Reference|key=becke:jcp:06|show={{{1}}}|
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Reference|key=tran:prl:09|show={{{1}}}|
Reference|key=tran:prl:09|show={{{1}}}|
Line 67: Line 59:
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}}{{
Reference|key=teter:prb:1989|show={{{1}}}|
Reference|key=teter:prb:1989|show={{{1}}}|
bib= M.P. Teter, M.C. Payne and D.C. Allan, Phys. Rev. B '''40''', 12255 (1989).|
bib= M. P. Teter, M. C. Payne, and D. C. Allan, Phys. Rev. B '''40''', 12255 (1989).|
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}}{{
}}{{
Reference|key=bylander:prb:1990|show={{{1}}}|
Reference|key=bylander:prb:1990|show={{{1}}}|
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bib=D. M. Bylander, L. Kleinman, and S. Lee, Phys Rev. B '''42''', 1394 (1990).|
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}}{{
}}{{
Reference|key=davidson:book:1983|show={{{1}}}|
Reference|key=davidson:book:1983|show={{{1}}}|
bib=R. Davidson, Methods in Computational Molecular Physics edited by G.H.F. Diercksen and S. Wilson Vol. 113 NATO Advanced Study Institute, Series C (Plenum, New York, 1983), p. 95.|
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Reference|key=liu:book:1978|show={{{1}}}|
Reference|key=liu:book:1978|show={{{1}}}|
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Reference|key=wood:jpa:1985|show={{{1}}}|
Reference|key=wood:jpa:1985|show={{{1}}}|
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Reference|key=press:book:1986|show={{{1}}}|
Reference|key=press:book:1986|show={{{1}}}|
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Reference|key=chadi:prb:1973|show={{{1}}}|
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}}{{
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Reference|key=monkhorst:prb:1976|show={{{1}}}|
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Reference|key=bloechl:prb:1994|show={{{1}}}|
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Latest revision as of 14:59, 24 March 2024