Jump to content

Requests for technical support from the VASP team should be posted in the VASP Forum.

Template:Cite: Difference between revisions

From VASP Wiki
Wolloch (talk | contribs)
No edit summary
Add spin-spiral refs (Sandratskii 1986, Kurz 2004, Marsman & Hafner 2002, Miao 2025) — issue #16
 
(38 intermediate revisions by 5 users not shown)
Line 1,052: Line 1,052:
}}{{
}}{{
Reference|key=ning:prb:2022|show={{{1}}}|  
Reference|key=ning:prb:2022|show={{{1}}}|  
bib=J. Ning, M. Kothakonda, J. W. Furness, A. D. Kaplan, S. Ehlert, J. G. Brandenburg, J. P. Perdew, and J. Sun, ''Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: r<math>^2</math>SCAN+rVV⁢10'', Phys. Rev. B '''106''', 075422 (2022).|  
bib=J. Ning, M. Kothakonda, J. W. Furness, A. D. Kaplan, S. Ehlert, J. G. Brandenburg, J. P. Perdew, and J. Sun, ''Workhorse minimally empirical dispersion-corrected density functional with tests for weakly bound systems: r²SCAN+rVV⁢10'', Phys. Rev. B '''106''', 075422 (2022).|  
link=https://doi.org/10.1103/PhysRevB.106.075422
link=https://doi.org/10.1103/PhysRevB.106.075422
}}{{
}}{{
Line 2,117: Line 2,117:
bib=M. Peressi, M. Binggeli, and A. Baldereschi ''Band engineering at interfaces: theory and numerical experiments'', J. Phys. D: Appl. Phys. '''31''', 1273 (1998).|
bib=M. Peressi, M. Binggeli, and A. Baldereschi ''Band engineering at interfaces: theory and numerical experiments'', J. Phys. D: Appl. Phys. '''31''', 1273 (1998).|
link=https://doi.org/10.1088/0022-3727/31/11/002
link=https://doi.org/10.1088/0022-3727/31/11/002
}}{{
Reference|key=Silva2007|show={{{1}}}|
bib=Juarez L. F. Da Silva, M. Verónica Ganduglia-Pirovano, Joachim Sauer, Veronika Bayer, Phys. Rev. B '''75''', 045121 (2007).|
link=http://dx.doi.org/10.1103/PhysRevB.75.045121
}}{{
Reference|key=Ivady2014|show={{{1}}}|
bib=Viktor Ivády, Rickard Armiento, Krisztián Szász, Erik Janzén, Adam Gali, Phys. Rev. B '''90''', 035146  (2014).|
link=http://dx.doi.org/10.1103/PhysRevB.90.035146
}}{{
Reference|key=Cunningham2023|show={{{1}}}|
bib=Brian Cunningham, Myrta Grüning, Dimitar Pashov, Phys. Rev. B '''108''', 165104 (2023).|
link=http://dx.doi.org/10.1103/PhysRevB.108.165104
}}{{
Reference|key=paier:2009|show={{{1}}}|
bib=M. Marsman, A. Grüneis, J. Paier, G. Kresse, J. Chem. Phys. '''130''', 184103 (2009).|
link=https://doi.org/10.1063/1.3126249
}}{{
Reference|key=schaefer:2017|show={{{1}}}|
bib=T. Sch&auml;fer, B. Ramberger, and G. Kresse, J. Chem. Phys. '''146''', 104101 (2017).|
link=https://doi.org/10.1063/1.4976937
}}{{
Reference|key=schaefer:2018|show={{{1}}}|
bib=T. Sch&auml;fer, B. Ramberger, and G. Kresse, J. Chem. Phys. '''148''', 064103 (2018).|
link=https://doi.org/10.1063/1.5016100
}}{{
Reference|key=gatti:prb:2013|show={{{1}}}|
bib=Matteo Gatti and Francesco Sottile, Phys. Rev. B '''88''', 155113 (2013).|
link=http://dx.doi.org/10.1103/PhysRevB.88.155113
}}{{
Reference|key=martin:book:2016|show={{{1}}}|
bib=R. Martin, L. Reining, D. Ceperley, ''Interacting Electrons: Theory and Computational Approaches'', Cambridge University Press (2016).|
link=https://doi.org/10.1017/CBO9781139050807
}}{{
Reference|key=marianetti:kotliar:2006|show={{{1}}}|
bib=G. Kotliar, S. Y. Savrasov, K. Haule, V. S. Oudovenko, O. Parcollet, and C. A. Marianetti, Rev. Mod. Phys. '''78''', 865 (2006).|
link=https://doi.org/10.1103/RevModPhys.78.865
}}{{
Reference|key=savrasov:kotliar:2004|show={{{1}}}|
bib=S. Savrasov, G. Kotliar, Phys. Rev. B, '''69''', 245101 (2004).|
link=https://doi.org/10.1103/PhysRevB.69.245101
}}{{
Reference|key=turkowski:book:2021|show={{{1}}}|
bib=V. Turkowski, ''Dynamical Mean-Field Theory for Strongly Correlated Materials'', Springer Cham (2021).|
link=https://doi.org/10.1007/978-3-030-64904-3
}}{{
Reference|key=coblentz:society|show={{{1}}}|
bib=Coblentz Society, Inc., ''"Evaluated Infrared Reference Spectra" in NIST Chemistry WebBook, NIST Standard Reference Database Number 69, Eds. P.J. Linstrom and W.G. Mallard'', National Institute of Standards and Technology, Gaithersburg MD, 20899 (retrieved May 7, 2026).|
link=https://doi.org/10.18434/T4D303
}}{{
Reference|key=gross:kohn:1990|show={{{1}}}|
bib=E. Gross, W. Kohn, Adv. Quantum Chem., '''21''', 255 (1990).|
link=https://doi.org/10.1016/S0065-3276(08)60600-0
}}{{
Reference|key=marques:gross:2004|show={{{1}}}|
bib=M. Marques, E. Gross, Annu. Rev. Phys. Chem., '''55''', 427 (2004).|
link=https://doi.org/10.1146/annurev.physchem.55.091602.094449
}}{{
Reference|key=carter:kapral:1989|show={{{1}}}|
bib=E. Carter, G. Ciccotti, J. Hynes, R. Kapral, Chem. Phys. Lett., '''156''', 472 (1989).|
link=https://doi.org/10.1016/S0009-2614(89)87314-2
}}{{
Reference|key=denotter:briels:2000|show={{{1}}}|
bib=W. den Otter, W. Briels, Mol. Phys., '''98''', 773 (2000).|
link=https://doi.org/10.1080/00268970009483348
}}{{
Reference|key=darve:pohorille:2010|show={{{1}}}|
bib=E. Darve, M. Wilson, A. Pohorille, Mol. Simul., '''28''', 113 (2010).|
link=https://doi.org/10.1080/08927020211975
}}{{
Reference|key=fleurat:ziegler:2005|show={{{1}}}|
bib=P. Fleurat-Lessard, T. Ziegler, J. Chem. Phys., '''123''', 084101 (2005).|
link=https://doi.org/10.1063/1.1948367
}}{{
Reference|key=woo:ziegler:1997|show={{{1}}}|
bib=T. Woo, P. Margl, P. Blöchl, T. Ziegler. J. Phys. Chem., '''101''', 40 (1997)|
link=https://doi.org/10.1021/jp9717296
}}{{
Reference|key=overhofer:geissler:2005|show={{{1}}}|
bib=Oberhofer, C. Dellago, P. L. Geissler, J. Phys. Chem. B 109, 6902 (2005).|
link=https://doi.org/10.1021/jp044556a
}}{{
Reference|key=tuckerman:book:2023|show={{{1}}}|
bib=M. Tuckerman, ''Statistical Mechanics: Theory and Molecular Simulation (2nd edn)'', Oxford University Press (2023).|
link=https://doi.org/10.1093/oso/9780198825562.001.0001
}}{{
Reference|key=frenkel:smit:2023|show={{{1}}}|
bib=D. Frenkel, B. Smit, ''Understanding Molecular Simulation - From Algorithms to Applications (2nd edn)'', Elsevier Science (2023).|
link=https://doi.org/10.1016/B978-0-12-267351-1.X5000-7
}}{{
Reference|key=ewald:ap:1921|show={{{1}}}|
bib=P. P. Ewald, ''Die Berechnung optischer und elektrostatischer Gitterpotentiale'', Ann. Phys. (Leipzig) '''369''', 253 (1921).|
link=https://doi.org/10.1002/andp.19213690304
}}{{
Reference|key=feynman:pr:1939|show={{{1}}}|
bib=R. P. Feynman, ''Forces in Molecules'', Phys. Rev. '''56''', 340 (1939).|
link=https://doi.org/10.1103/PhysRev.56.340
}}{{
Reference|key=pulay:mp:1969|show={{{1}}}|
bib=P. Pulay, ''Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules. I. Theory'', Mol. Phys. '''17''', 197 (1969).|
link=https://doi.org/10.1080/00268976900100941
}}{{
Reference|key=harris:prb:1985|show={{{1}}}|
bib=J. Harris, ''Simplified method for calculating the energy of weakly interacting fragments'', Phys. Rev. B '''31''', 1770 (1985).|
link=https://doi.org/10.1103/PhysRevB.31.1770
}}{{
Reference|key=foulkes:prb:1989|show={{{1}}}|
bib=W. M. C. Foulkes, R. Haydock, ''Tight-binding models and density-functional theory'', Phys. Rev. B '''39''', 12520 (1989).|
link=https://doi.org/10.1103/PhysRevB.39.12520
}}{{
Reference|key=vandewalle:prb:1989|show={{{1}}}|
bib=C. G. Van de Walle, R. M. Martin, ''Theoretical calculations of heterojunction discontinuities in the Si/Ge system'', Phys. Rev. B '''39''', 1871 (1989).|
link=https://doi.org/10.1103/PhysRevB.39.1871
}}{{
Reference|key=makov:prb:1995|show={{{1}}}|
bib=G. Makov, M. C. Payne, ''Periodic boundary conditions in ab initio calculations'', Phys. Rev. B '''51''', 4014 (1995).|
link=https://doi.org/10.1103/PhysRevB.51.4014
}}{{
Reference|key=polak:book:1971|show={{{1}}}|
bib=E. Polak, ''Computational Methods in Optimization: A Unified Approach'', Academic Press, New York (1971).|
link=https://www.google.com/books/edition/Computational_Methods_in_Optimization/QU9QAAAAMAAJ
}}{{
Reference|key=nazarov:vignale:2011|show={{{1}}}|
bib=V. U. Nazarov, G. Vignale, ''Optics of semiconductors from meta-generalized-gradient-approximation-based time-dependent density-functional theory'', Phys. Rev. Lett. '''107''', 216402 (2011).|
link=https://doi.org/10.1103/PhysRevLett.107.216402
}}{{
Reference|key=jinnouchi:JCP:2024|show={{{1}}}|
bib=R. Jinnouchi, ''Machine-learning surrogate models for particle insertions and element substitutions'', J. Chem. Phys. '''161''', 194110 (2024).|
link=https://doi.org/10.1063/5.0240275
}}{{
Reference|key=heyd:jcp:05|show={{{1}}}|
bib=J. Heyd, J. E. Peralta, G. E. Scuseria, and R. L. Martin, ''Energy band gaps and lattice parameters evaluated with the Heyd-Scuseria-Ernzerhof screened hybrid functional'', J. Chem. Phys. '''123''', 174101 (2005).|
link=https://doi.org/10.1063/1.2085170
}}{{
Reference|key=franchini:nrm:21|show={{{1}}}|
bib=C. Franchini, M. Reticcioli, M. Setvin, and U. Diebold, ''Polarons in Materials'', Nat. Rev. Mat. '''6''', 560 (2021).|
link=https://doi.org/10.1038/s41578-021-00289-w
}}{{
Reference|key=moussa:jcp:12|show={{{1}}}|
bib=J. E. Moussa, P. A. Schultz, and J. R. Chelikowsky, ''Analysis of the Heyd-Scuseria-Ernzerhof density functional parameter space'', J. Chem. Phys. '''136''', 204117 (2012).|
link=http://doi.org/10.1063/1.4722993
}}{{
Reference|key=franchini:jpcm:14|show={{{1}}}|
bib=C. Franchini, ''Hybrid functionals applied to perovskites'', J. Phys.: Condens. Matter '''26''', 253202 (2014).|
link=http://dx.doi.org/10.1088/0953-8984/26/25/253202
}}{{
Reference|key=gant:cpc:26|show={{{1}}}|
bib=S. E. Gant, F. Ricci, G. Ohad, A. Ramasubramaniam, L. Kronik, and J. B. Neaton, ''Automated workflow for non-empirical Wannier-localized optimal tuning of range-separated hybrid functionals'', Comput. Phys. Commun. '''320''', 109995 (2026).|
link=https://doi.org/10.1016/j.cpc.2025.109995
}}{{
Reference|key=gopidi:prb:26|show={{{1}}}|
bib=H. R. Gopidi, R. Zhang, Y. Wang, A. Patra, J. Sun, A. Ruzsinszky, J. P. Perdew, and P. Canepa, ''Reducing self-interaction error in transition-metal oxides with different exact-exchange fractions for energy and density'', Phys. Rev, B '''113''', 165115 (2026).|
link=https://doi.org/10.1103/myd5-l4f4
}}{{
Reference|key=kothakonda:jpcc:26|show={{{1}}}|
bib=M. Kothakonda, A. Patra, R. Zhang, J. Ning, J. Furness, Q. Zhao, and J. Sun, ''Toward Chemical Accuracy for Chemi- and Physisorption with an Efficient Density Functional'', J. Phys. Chem. C '''130''', 2997 (2026).|
link=https://doi.org/10.1021/acs.jpcc.5c08744
}}{{
Reference|key=runge:gross:1984|show={{{1}}}|
bib=E. Runge and E. K. U. Gross, ''Density-Functional Theory for Time-Dependent Systems'', Phys. Rev. Lett. '''52''', 997 (1984).|
link=https://doi.org/10.1103/PhysRevLett.52.997
}}{{
Reference|key=sottile:prl:2003|show={{{1}}}|
bib=F. Sottile, V. Olevano, and L. Reining, ''Parameter-Free Calculation of Response Functions in Time-Dependent Density-Functional Theory'', Phys. Rev. Lett. '''91''', 056402 (2003).|
link=https://doi.org/10.1103/PhysRevLett.91.056402
}}{{
Reference|key=casida:1995|show={{{1}}}|
bib=M. E. Casida, in ''Recent Advances in Density Functional Methods, Part I'', edited by D. P. Chong (World Scientific, Singapore, 1995), p. 155.|
link=https://doi.org/10.1142/9789812830586_0005
}}{{
Reference|key=sandratskii:pssb:86|show={{{1}}}|
bib=L. M. Sandratskii, ''Energy band structure calculations for crystals with spiral magnetic structure'', Phys. Status Solidi B '''136''', 167 (1986).
}}{{
Reference|key=kurz:prb:04|show={{{1}}}|
bib=Ph. Kurz, F. Förster, L. Nordström, G. Bihlmayer, and S. Blügel, ''Ab initio treatment of noncollinear magnets with the full-potential linearized augmented plane wave method'', Phys. Rev. B '''69''', 024415 (2004).|
link=https://doi.org/10.1103/PhysRevB.69.024415
}}{{
Reference|key=marsman:prb:02|show={{{1}}}|
bib=M. Marsman and J. Hafner, ''Broken symmetries in the crystalline and magnetic structures of γ-iron'', Phys. Rev. B '''66''', 224409 (2002).|
link=https://doi.org/10.1103/PhysRevB.66.224409
}}{{
Reference|key=miao:pnas:25|show={{{1}}}|
bib=M.-P. Miao, N. Liu, W.-H. Zhang, D.-B. Wang, W. Ji, and Y.-S. Fu, ''Spin-resolved imaging of atomic-scale helimagnetism in mono- and bilayer NiI<sub>2</sub>'', Proc. Natl. Acad. Sci. U.S.A. '''122''', e2422868122 (2025).|
link=https://doi.org/10.1073/pnas.2422868122
}}
}}

Latest revision as of 15:57, 18 June 2026

This template is similar to how LaTeX manages citations, you have a key and then a text that is included. The template translates this to the mediawiki format. Usage {{cite|key}}.