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Reference|key=pulay:cpl:1980|show={{{1}}}|
Reference|key=pulay:cpl:1980|show={{{1}}}|
bib=P. Pulay, Chem. Phys. Lett. '''73''', 393 (1980).|
bib=P. Pulay, Chem. Phys. Lett. '''73''', 393 (1980).|
link=https://www.sciencedirect.com/science/article/abs/pii/0009261480803964
link=https://doi.org/10.1016/0009-2614(80)80396-4
}}{{
}}{{
Reference|key=johnson:prb:1988|show={{{1}}}|
Reference|key=johnson:prb:1988|show={{{1}}}|
Line 31: Line 31:
bib=G.P. Kerker, Phys. Rev. B '''23''', 3082 (1981)|
bib=G.P. Kerker, Phys. Rev. B '''23''', 3082 (1981)|
link=https://doi.org/10.1103/PhysRevB.23.3082
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 56: Line 54:
Reference|key=becke:jcp:06|show={{{1}}}|
Reference|key=becke:jcp:06|show={{{1}}}|
bib=A. D. Becke and E. R. Johnson, J. Chem. Phys. '''124''', 221101 (2006).|
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link=https://aip.scitation.org/doi/10.1063/1.2213970
link=https://doi.org/10.1063/1.2213970
}}{{
}}{{
Reference|key=tran:prl:09|show={{{1}}}|
Reference|key=tran:prl:09|show={{{1}}}|
Line 68: Line 66:
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).|
link=https://journals.aps.org/prb/abstract/10.1103/PhysRevB.40.12255
link=https://doi.org/10.1103/PhysRevB.40.12255
}}{{
}}{{
Reference|key=bylander:prb:1990|show={{{1}}}|
Reference|key=bylander:prb:1990|show={{{1}}}|
bib=D.M. Bylander, L. Kleinman and S. Lee, Phys Rev. B '''42''', 1394 (1990).|
bib=D.M. Bylander, L. Kleinman and S. Lee, Phys Rev. B '''42''', 1394 (1990).|
link=https://journals.aps.org/prb/abstract/10.1103/PhysRevB.42.1394
link=https://doi.org/10.1103/PhysRevB.42.1394
}}{{
}}{{
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.|
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.|
link=https://www.springer.com/la/book/9789027716385
link=https://doi.org/10.1007/978-94-009-7200-1
}}{{
}}{{
Reference|key=liu:book:1978|show={{{1}}}|
Reference|key=liu:book:1978|show={{{1}}}|
Line 84: Line 82:
Reference|key=wood:jpa:1985|show={{{1}}}|
Reference|key=wood:jpa:1985|show={{{1}}}|
bib= D. M. Wood and A. Zunger, J. Phys. A '''18''', 1343 (1985).|
bib= D. M. Wood and A. Zunger, J. Phys. A '''18''', 1343 (1985).|
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}}{{
}}{{
Reference|key=press:book:1986|show={{{1}}}|
Reference|key=press:book:1986|show={{{1}}}|
Line 92: Line 90:
Reference|key=baldereschi:prb:1973|show={{{1}}}|
Reference|key=baldereschi:prb:1973|show={{{1}}}|
bib= A. Baldereschi, Phys. Rev. B '''7''', 5212 (1973).|
bib= A. Baldereschi, Phys. Rev. B '''7''', 5212 (1973).|
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link=https://doi.org/10.1103/PhysRevB.7.5212
}}{{
}}{{
Reference|key=chadi:prb:1973|show={{{1}}}|
Reference|key=chadi:prb:1973|show={{{1}}}|
bib= D.J. Chadi and M.L. Cohen, Phys. Rev. B '''8''', 5747 (1973).|
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link=https://doi.org/10.1103/PhysRevB.8.5747
}}{{
}}{{
Reference|key=monkhorst:prb:1976|show={{{1}}}|
Reference|key=monkhorst:prb:1976|show={{{1}}}|
bib= H.J. Monkhorst and J.D. Pack, Phys. Rev. B '''13''', 5188 (1976).|
bib= H.J. Monkhorst and J.D. Pack, Phys. Rev. B '''13''', 5188 (1976).|
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link=https://doi.org/10.1103/PhysRevB.13.5188
}}{{
}}{{
Reference|key=bloechl:prb:1994|show={{{1}}}|
Reference|key=bloechl:prb:1994|show={{{1}}}|
bib= P.E. Blöchl, O. Jepsen and O.K. Andersen, Phys. Rev. B '''49''', 16223 (1994).|
bib= P.E. Blöchl, O. Jepsen and O.K. Andersen, Phys. Rev. B '''49''', 16223 (1994).|
link=https://journals.aps.org/prb/abstract/10.1103/PhysRevB.49.16223
link=https://doi.org/10.1103/PhysRevB.49.16223
}}{{
}}{{
Reference|key=wisesa:prb:2016|show={{{1}}}|
Reference|key=wisesa:prb:2016|show={{{1}}}|
bib= P. Wisesa, K.A. McGill, and T. Mueller, Phys. Rev. B '''93''', 155109 (2016).|
bib= P. Wisesa, K.A. McGill, and T. Mueller, Phys. Rev. B '''93''', 155109 (2016).|
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link=https://doi.org/10.1103/PhysRevB.93.155109
}}{{
}}{{
Reference|key=morgan:cms:2020|show={{{1}}}|
Reference|key=morgan:cms:2020|show={{{1}}}|
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}}{{
Reference|key=mermin:pra:1965|show={{{1}}}|
Reference|key=mermin:pra:1965|show={{{1}}}|
bib= N.D. Mermin, Phys. Rev. '''137''', A1441 (1965).|
bib= N.D. Mermin, Phys. Rev. '''137''', A1441 (1965).|
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}}{{
}}{{
Reference|key=devita:phd:1992|show={{{1}}}|
Reference|key=devita:phd:1992|show={{{1}}}|
Line 124: Line 122:
Reference|key=methfessel:prb:1989|show={{{1}}}|
Reference|key=methfessel:prb:1989|show={{{1}}}|
bib= M. Methfessel and A.T. Paxton, Phys. Rev. B '''40''', 3616 (1989).|
bib= M. Methfessel and A.T. Paxton, Phys. Rev. B '''40''', 3616 (1989).|
link=https://journals.aps.org/prb/abstract/10.1103/PhysRevB.40.3616
link=https://doi.org/10.1103/PhysRevB.40.3616
}}{{
}}{{
Reference|key=karsai:prb:2018|show={{{1}}}|
Reference|key=karsai:prb:2018|show={{{1}}}|
bib= F. Karsai, M. Humer, E. Flage-Larsen, P. Blaha and G. Kresse, Phys. Rev. B '''98''', 235205 (2018).|
bib= F. Karsai, M. Humer, E. Flage-Larsen, P. Blaha and G. Kresse, Phys. Rev. B '''98''', 235205 (2018).|
link=https://journals.aps.org/prb/abstract/10.1103/PhysRevB.98.235205
link=https://doi.org/10.1103/PhysRevB.98.235205
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Reference|key=zacharias:prb:2016|show={{{1}}}|
Reference|key=zacharias:prb:2016|show={{{1}}}|
bib= M. Zacharias and F. Giustino, Phys. Rev. B '''94''', 075125 (2016).|
bib= M. Zacharias and F. Giustino, Phys. Rev. B '''94''', 075125 (2016).|
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link=https://doi.org/10.1103/PhysRevB.94.075125
}}{{
}}{{
Reference|key=karsai:njp:2018|show={{{1}}}|
Reference|key=karsai:njp:2018|show={{{1}}}|
bib= F. Karsai, M. Engel, E. Flage-Larssen and G. Kresse, New J. of Phys. '''20''', 123008 (2018).|
bib= F. Karsai, M. Engel, E. Flage-Larssen and G. Kresse, New J. of Phys. '''20''', 123008 (2018).|
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Reference|key=bloch:zfp:1932|show={{{1}}}|
Reference|key=bloch:zfp:1932|show={{{1}}}|
Line 144: Line 142:
Reference|key=landau:ctp:1959|show={{{1}}}|
Reference|key=landau:ctp:1959|show={{{1}}}|
bib= L. D. Landau and E. M. Lifshitz, Course of Theoretical Physics: Statistical Physics vol 5, (London: Pergamon), (1959).|
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Reference|key=jinnouchi:prl:2019|show={{{1}}}|
Reference|key=jinnouchi:prl:2019|show={{{1}}}|
bib= R. Jinnouchi, J. Lahnsteiner, F. Karsai, G. Kresse and M. Bokdam, Phys. Rev. Lett. '''122''', 225701 (2019).|
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Reference|key=jinnouchi2:arx:2019|show={{{1}}}|
Reference|key=jinnouchi2:arx:2019|show={{{1}}}|
bib= R. Jinnouchi, F. Karsai and G. Kresse, Phys. Rev. B '''100''', 014105 (2019).|
bib= R. Jinnouchi, F. Karsai and G. Kresse, Phys. Rev. B '''100''', 014105 (2019).|
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Reference|key=bartok:prb:2013|show={{{1}}}|
Reference|key=bartok:prb:2013|show={{{1}}}|
bib= A. P. Bartók, R. Kondor, and G. Csányi, Phys. Rev. B '''87''', 184115 (2013).|
bib= A. P. Bartók, R. Kondor, and G. Csányi, Phys. Rev. B '''87''', 184115 (2013).|
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link=https://doi.org/10.1103/PhysRevB.87.184115
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}}{{
Reference|key=bartok:prl:2010|show={{{1}}}|
Reference|key=bartok:prl:2010|show={{{1}}}|
bib= A. P. Bartók, M.C. Payne, R. Kondor, and G. Csányi, Phys. Rev. Lett '''104''', 136403 (2010).|
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Reference|key=bishop:book:2006|show={{{1}}}|
Reference|key=bishop:book:2006|show={{{1}}}|
Line 168: Line 166:
Reference|key=miwa:prb:2016|show={{{1}}}|
Reference|key=miwa:prb:2016|show={{{1}}}|
bib= K. Miwa, and H. Ohno, Phys. Rev. B '''94''', 184109 (2016).|
bib= K. Miwa, and H. Ohno, Phys. Rev. B '''94''', 184109 (2016).|
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Reference|key=gull:book:1989|show={{{1}}}|
Reference|key=gull:book:1989|show={{{1}}}|
bib= S.F. Gull, and J. Skilling, Maximum Entropy Bayesian Methods, Fundam. Theor. Phys., 28th ed. (Springer, Dordrecht, 1989).|
bib= S.F. Gull, and J. Skilling, Maximum Entropy Bayesian Methods, Fundam. Theor. Phys., 28th ed. (Springer, Dordrecht, 1989).|
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Reference|key=mackay:neu:2012|show={{{1}}}|
Reference|key=mackay:neu:2012|show={{{1}}}|
bib= D. J. C. Mackay, Neural Computation '''4''', 415 (1992).|
bib= D. J. C. Mackay, Neural Computation '''4''', 415 (1992).|
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Reference|key=jinnouchi:pcl:2017|show={{{1}}}|
Reference|key=jinnouchi:pcl:2017|show={{{1}}}|
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Reference|key=andersen:jcp:1980|show={{{1}}}|
Reference|key=andersen:jcp:1980|show={{{1}}}|
bib= H. C. Andersen, J. Chem. Phys. '''72''', 2384 (1980).|
bib= H. C. Andersen, J. Chem. Phys. '''72''', 2384 (1980).|
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Reference|key=frenkel:book:1996|show={{{1}}}|
Reference|key=frenkel:book:1996|show={{{1}}}|
bib= D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic Press, London, 1996).|
bib= D. Frenkel and B. Smit, Understanding Molecular Simulation (Academic Press, London, 1996).|
link=
link=https://doi.org/10.1016/B978-0-12-267351-1.X5000-7
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Reference|key=boyd:book:2000|show={{{1}}}|
Reference|key=boyd:book:2000|show={{{1}}}|
bib= J. P. Boyd, Chebyshev and Fourier Spectral Methods (Dover Publications, New York, 2000).|
bib= J. P. Boyd, Chebyshev and Fourier Spectral Methods (Dover Publications, New York, 2000).|
link=
link=https://link.springer.com/gp/book/9783540514879
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Reference|key=szlachta:prb:2014|show={{{1}}}|
Reference|key=szlachta:prb:2014|show={{{1}}}|
Line 204: Line 202:
Reference|key=nose:jcp:1984|show={{{1}}}|
Reference|key=nose:jcp:1984|show={{{1}}}|
bib= S. Nosé, J. Chem. Phys. '''81''', 511 (1984).|
bib= S. Nosé, J. Chem. Phys. '''81''', 511 (1984).|
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Reference|key=nose:ptp:1991|show={{{1}}}|
Reference|key=nose:ptp:1991|show={{{1}}}|

Revision as of 12:38, 6 April 2022