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Reference|key=broyden:mc:1965|show={{{1}}}|
Reference|key=broyden:mc:1965|show={{{1}}}|
bib=C. G. Broyden, Math. Comput. '''19''', 577 (1965)|
bib=C. G. Broyden, Math. Comput. '''19''', 577 (1965)|
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bib=M. Grumet, P. Liu, M. Kaltak, J. Klimeš, and G. Kresse, Phys. Rev. B '''98''', 155143 (2018).|  
bib=M. Grumet, P. Liu, M. Kaltak, J. Klimeš, and G. Kresse, Phys. Rev. B '''98''', 155143 (2018).|  
link=https://doi.org/10.1103/PhysRevB.98.155143
link=https://doi.org/10.1103/PhysRevB.98.155143
}}{{
Reference|key=grumet:thesis:2017|show={{{1}}}|
bib=M. Grumet, Thesis: Self-consistent GW calculations for solids(2017).|
link=https://utheses.univie.ac.at/detail/43403#
}}{{
}}{{
Reference|key=ramberger:jcp:2019|show={{{1}}}|  
Reference|key=ramberger:jcp:2019|show={{{1}}}|  
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link=https://doi.org/10.1017/S0305004100016108
link=https://doi.org/10.1017/S0305004100016108
}}{{
}}{{
Reference|key=berland:prb:2015|show={{{1}}}|
Reference|key=berland:prb:2014|show={{{1}}}|
bib=K. Berland and P. Hyldgaard, Phys. Rev. B '''89''', 035412 (2014).|
bib=K. Berland and P. Hyldgaard, Phys. Rev. B '''89''', 035412 (2014).|
link=https://doi.org/10.1103/PhysRevB.89.035412
link=https://doi.org/10.1103/PhysRevB.89.035412
Line 991: Line 992:
}}{{
}}{{
Reference|key=gonze:prb:1997|show={{{1}}}|
Reference|key=gonze:prb:1997|show={{{1}}}|
bib=X. Gonze and C. Lee, Phys. Rev. B '''55''', 10355 (1997).||
bib=X. Gonze and C. Lee, ''Dynamical matrices, Born effective charges, dielectric permittivity tensors, and interatomic force constants from density-functional perturbation theory'', Phys. Rev. B '''55''', 10355 (1997).||
link=http://doi.org/10.1103/PhysRevB.55.10355
link=http://doi.org/10.1103/PhysRevB.55.10355
}}{{
}}{{
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}}{{
}}{{
Reference|key=kurth:ijqc:1999|show={{{1}}}|  
Reference|key=kurth:ijqc:1999|show={{{1}}}|  
bib=S. Kurth, J. P. Perdew, and P. Blaha, ''Molecular and solid-state tests of density functional approximations: LSD, GGAs, and meta-GGAs'', Int. J. Quantum Chem '''75''', 889 (1999).|  
bib=S. Kurth, J. P. Perdew, and P. Blaha, ''Molecular and solid-state tests of density functional approximations: LSD, GGAs, and meta-GGAs'', Int. J. Quantum Chem. '''75''', 889 (1999).|  
link=https://doi.org/10.1002/(SICI)1097-461X(1999)75:4/5%3C889::AID-QUA54%3E3.0.CO;2-8
link=https://doi.org/10.1002/(SICI)1097-461X(1999)75:4/5%3C889::AID-QUA54%3E3.0.CO;2-8
}}{{
}}{{
Line 1,317: Line 1,318:
bib=G. Feldbauer, M. Wolloch, P. O. Bedolla, P. Mohn, J. Redinger, and A. Vernes, ''Adhesion and material transfer between contacting Al and TiN surfaces from first principles'', Phys. Rev. B '''91''', 165413 (2015).|  
bib=G. Feldbauer, M. Wolloch, P. O. Bedolla, P. Mohn, J. Redinger, and A. Vernes, ''Adhesion and material transfer between contacting Al and TiN surfaces from first principles'', Phys. Rev. B '''91''', 165413 (2015).|  
link=https://link.aps.org/doi/10.1103/PhysRevB.91.165413
link=https://link.aps.org/doi/10.1103/PhysRevB.91.165413
}}{{
Reference|key=caldeweyher:pccp:2020|show={{{1}}}|
bib=E. Caldeweyher, J.-M. Mewes, S. Ehlert, and S. Grimme, ''Extension and evaluation of the D4 London-dispersion model for periodic systems'', Phys. Chem. Chem. Phys. '''22''', 8499 (2020).|
link=https://doi.org/10.1039/D0CP00502A
}}{{
Reference|key=pizzi:jpcm:2020|show={{{1}}}|
bib=G. Pizzi et al., ''Wannier90 as a community code: new features and applications'', J. Phys.: Condens. Matter '''32''', 165902 (2020).|
link=https://doi.org/10.1088/1361-648X/ab51ff
}}{{
Reference|key=mostofi:cpc:2014|show={{{1}}}|
bib=A. A. Mostofi, J. R. Yates, G. Pizzi, Y.-S. Lee, I. Souza, D. Vanderbilt, and N. Marzari, ''An Updated Version of Wannier90: A Tool for Obtaining Maximally-Localised Wannier Functions'', Computer Physics Communications '''185''', 2309 (2014).|
link=https://doi.org/10.1016/j.cpc.2014.05.003
}}{{
Reference|key=payne:francis:1990|show={{{1}}}|
bib=G. P. Francis and  M. C. Payne, ''Finite basis set corrections to total energy pseudopotential calculations'', J. Condens. Matter Phys. '''2''', 4395 (1990).|
link=https://doi.org/10.1088/0953-8984/2/19/007
}}{{
Reference|key=murnaghan:web|show={{{1}}}|
bib= Murnaghan Equation of State, www.wikipedia.org (2024)|
link=https://en.wikipedia.org/wiki/Murnaghan_equation_of_state
}}{{
Reference|key=vasp:intro:lecture:web|show={{{1}}}|
bib= Introduction to ab-initio simulation in VASP | VASP Lecture, www.youtube.com (2024)|
link=https://youtu.be/Fv3F4LHGPuc?si=dJlZD9dTuxQz__R9
}}{{
Reference|key=gomesdacosta:nielsen:kunc:1986|show={{{1}}}|
bib=P. Gomes Dacosta, O. Nielsen, and K. Kunc, ''Stress theorem in the determination of static equilibrium by the density functional method'', J. Phys. C: Solid State Phys. '''19''', 3163 (1986).|
link=https://doi.org/10.1088/0953-8984/2/19/007
}}{{
Reference|key=ghosez:michenaud:gonze:1998|show={{{1}}}|
bib=Ph. Ghosez, J.-P. Michenaud, and X. Gonze, ''Dynamical atomic charges: The case of AB⁢O3 compounds'', Phys. Rev. B '''58''', 6224 (1998).|
link=https://doi.org/10.1103/PhysRevB.58.6224
}}{{
Reference|key=engel:prb:2020|show={{{1}}}|
bib=M. Engel, M. Marsman, C. Franchini, and G. Kresse, ''Electron-phonon interactions using the projector augmented-wave method and Wannier functions'', Phys. Rev. B '''101''', 184302 (2020).|
link=https://doi.org/10.1103/PhysRevB.101.184302
}}{{
Reference|key=engel:prb:2022|show={{{1}}}|
bib=M. Engel, H. Miranda, L. Chaput, A. Togo, C. Verdi, M. Marsman, and G. Kresse, ''Zero-point renormalization of the band gap of semiconductors and insulators using the projector augmented wave method'', Phys. Rev. B '''106''', 094316 (2022).|
link=https://link.aps.org/doi/10.1103/PhysRevB.106.094316
}}{{
Reference|key=simpson:web|show={{{1}}}|
bib= Simpson's rule, www.wikipedia.org (2024)|
link=https://en.wikipedia.org/wiki/Simpson%27s_rule
}}{{
Reference|key=kuebler2000:book|show={{{1}}}|
bib=J. Kübler, ''Theory of itinerant electron magnetism'', Vol. 106. Oxford University Press (2000).|
link=https://books.google.at/books?id=voGKDgAAQBAJ&lpg=PP1&ots=4gJEMsQUYo&dq=itinerant%20electrons%20magnetism&lr&pg=PP1#v=onepage&q=itinerant%20electrons%20magnetism&f=false
}}{{ 
Reference|key=schueler:jpcm:30|show={{{1}}}| 
bib=M. Schüler, O. E. Peil, G. J. Kraberger, R. Pordzik, M. Marsman, G. Kresse, T. O. Wehling, and M. Aichhorn, Journal of Physics: Condensed Matter '''30''', 475901 (2018).| 
link=https://doi.org/10.1088/1361-648X/aae80a
}}{{ 
Reference|key=merkel:joss:7|show={{{1}}}| 
bib=M. E. Merkel, A. Carta, S. Beck and Alexander Hampel, Journal of Open Source Software '''7''', 77 (2022).| 
link=https://doi.org/10.21105/joss.04623
}}{{ 
Reference|key=parcollet:cpc:196|show={{{1}}}| 
bib=O. Parcollet, M. Ferrero, T. Ayral, H. Hafermann, I. Krivenko, L. Messio and P. Seth, Computer Physics Communications '''196''', 398 (2015).| 
link=http://dx.doi.org/10.1016/j.cpc.2015.04.023
}}{{ 
Reference|key=aichhorn:cpc:204|show={{{1}}}| 
bib=M. Aichhorn, L. Pourovskii, P. Seth, V. Vildosola, M. Zingl, O. E. Peil, X. Deng, J. Mravlje, G. J. Kraberger, C. Martins, M. Ferrero, O. Parcollet, Computer Physics Communications '''204''', 200 (2016).| 
link=https://doi.org/10.1016/j.cpc.2016.03.014
}}{{
Reference|key=tst:web|show={{{1}}}|
bib= Transition state theory, www.wikipedia.org (2024)|
link=https://en.wikipedia.org/wiki/Transition_state_theory
}}{{
Reference|key=triqsdfttoolstutorial:web|show={{{1}}}|
bib= triqs.github.io/dft_tools/latest/tutorials.html#vasp-interface-examples (2024).|
link=https://triqs.github.io/dft_tools/latest/tutorials.html#vasp-interface-examples
}}{{
Reference|key=soliddmfttutorial:web|show={{{1}}}|
bib= triqs.github.io/solid_dmft/tutorials/PrNiO3_csc_vasp_plo_cthyb/tutorial (2024).|
link=https://triqs.github.io/solid_dmft/tutorials/PrNiO3_csc_vasp_plo_cthyb/tutorial.html
}}{{
Reference|key=hratchian:schlegel:2005|show={{{1}}}|
bib= H. Hratchian, H. Schlegel, Theory and Application of Computational Chemistry, Chapter 10 - Finding minima, transition states, and following reaction pathways on ab initio potential energy surfaces (2005), p. 195-249|
link=https://www.sciencedirect.com/science/article/abs/pii/B9780444517197500536
}}{{ 
Reference|key=ryckaertt:jcp:1977|show={{{1}}}| 
bib=J. P. Ryckaert, G. Ciccotti, and H. J. C. Berendsen, J. Comp. Phys. 23, 327 (1977).| 
link=http://dx.doi.org/10.1016/0021-9991(77)90098-5
}}{{
Reference|key=rozzi:prb:2006|show={{{1}}}| 
bib=C. A. Rozzi, D. Varsano, A. Marini, E. K. Gross, A. J. Rubio, Phys. Rev. B 73(20), 20511 (2006).| 
link=https://doi.org/10.1103/PhysRevB.73.205119
}}{{
Reference|key=sohier:prb:2017|show={{{1}}}| 
bib=T. Sohier, M. Calandra, and F. Mauri, Phys. Rev. B 96, 75448 (2017).| 
link=https://doi.org/10.1103/PhysRevB.96.075448
}}{{
Reference|key=vijay:arxiv:2024|show={{{1}}}| 
bib=S. Vijay, M. Schlipf, H. Miranda, F. Karsai, M. Marsman, G. Kresse (2024).| 
link=https://doi.org
}}{{
Reference|key=ihm:jpcss:1979|show={{{1}}}| 
bib=J. Ihm, A. Zunger, M. L. Cohen, Journal of Physics C: Solid State Physics 12(21), 4409 (1979).| 
link=https://doi.org/10.1088/0022-3719/12/21/009
}}{{
Reference|key=ponce:jcp:2015|show={{{1}}}| 
bib=S. Poncé, Y. Gillet, J. Laflamme Janssen, A. Marini, M. Verstraete, and X. Gonze, ''Temperature dependence of the electronic structure of semiconductors and insulators'', J. Chem. Phys. 143 (10), 102813 (2015).| 
link=https://doi.org/10.1063/1.4927081
}}{{
Reference|key=giustino:rmp:2017|show={{{1}}}| 
bib=F. Giustino, ''Electron-phonon interactions from first principles'', Rev. Mod. Phys. 89, 015003 (2017).| 
link=https://doi.org/10.1103/RevModPhys.89.015003
}}{{
Reference|key=tao:prl:2016|show={{{1}}}|
bib=J. Tao and Y. Mo, ''Accurate Semilocal Density Functional for Condensed-Matter Physics and Quantum Chemistry'', Phys. Rev. Lett. '''117''', 073001 (2015).|
link=https://doi.org/10.1103/PhysRevLett.117.073001
}}{{
Reference|key=chaput:prb:2019|show={{{1}}}| 
bib=L. Chaput, A. Togo, and I. Tanaka, ''Finite-displacement computation of the electron-phonon interaction within the projector augmented-wave method'', Phys. Rev. B '''100''', 174304 (2019).|
link=https://doi.org/10.1103/PhysRevB.100.174304
}}{{
Reference|key=roussel:2023|show={{{1}}}| 
bib=M. Roussel, ''Foundations of Chemical Kinetics, Chapter 7 - Transition-state theory'', (2023), p. 195-249.|
link=https://doi.org/10.1088/978-0-7503-5321-2
}}{{
Reference|key=truhlar:csr:2017|show={{{1}}}| 
bib=J. Bao and D. Truhlar, ''Variational transition state theory: theoretical framework and recent developments'', Chem. Soc. Rev. '''46''', 7548 (2017).|
link=https://doi.org/10.1039/C7CS00602K
}}{{
Reference|key=truhlar:jpc:1996|show={{{1}}}| 
bib=D. Truhlar, B. Garrett, and S. Klippenstein, ''Current Status of Transition-State Theory'', J. Phys. Chem. '''100''', 12771 (1996).|
link=https://doi.org/10.1039/C7CS00602K
}}{{
Reference|key=henkelman:jcp:2012|show={{{1}}}| 
bib=D. Sheppard, P. Xiao, W. Chemelweski, D. Johnson, G. Henkelman, ''A generalized solid-state nudged elastic band method'', J. Chem. Phys. '''136''', 074103 (2012).|
link=https://doi.org/10.1063/1.3684549
}}{{
Reference|key=mcquarrie:2000|show={{{1}}}| 
bib=D. McQuarrie, ''Statistical Mechanics'', (2000).|
link=https://uscibooks.aip.org/books/statistical-mechanics/
}}{{
Reference|key=klein:2006|show={{{1}}}| 
bib=B. Ensing, M. De Vivo, Z. Liu, P. Moore, M. Klein, ''Metadynamics as a Tool for Exploring Free Energy Landscapes of Chemical Reactions'', Acc. Chem. Res. '''39''', 73 (2006)|
link=https://doi.org/10.1021/ar040198i
}}{{
Reference|key=tiwary:parrinello:2006|show={{{1}}}| 
bib=P. Tiwary, M. Parrinello, ''From Metadynamics to Dynamics'', Phys. Rev. Lett. '''111''', 230602 (2013).|
link=https://doi.org/10.1103/PhysRevLett.111.230602
}}{{
Reference|key=gesvandtnerova:rucco:bucko:2021|show={{{1}}}| 
bib=M. Gešvandtnerová, D. Rocca, T. Bučko, ''Methanol carbonylation over acid mordenite: Insights from ab initio molecular dynamics and machine learning thermodynamic perturbation theory'', J. Catal. '''396''', 166 (2021).|
link=https://doi.org/10.1016/j.jcat.2021.02.011
}}{{
Reference|key=lebeda:prl:2024|show={{{1}}}|
bib=T. Lebeda, T. Aschebrock, and S. Kümmel, ''Balancing the Contributions to the Gradient Expansion: Accurate Binding and Band Gaps with a Nonempirical Meta-GGA'', Phys. Rev. Lett. '''133''', 136402 (2024).|
link=https://doi.org/10.1103/PhysRevLett.133.136402
}}{{
Reference|key=aschebrock:prr:2019|show={{{1}}}|
bib=T. Aschebrock and S. Kümmel, ''Ultranonlocality and accurate band gaps from a meta-generalized gradient approximation'', Phys. Rev. Res. '''1''', 033082 (2019)|
link=https://doi.org/10.1103/PhysRevResearch.1.033082
}}{{
Reference|key=cai:jpcc:2024|show={{{1}}}|
bib=Y. Cai, R. Michiels, F. De Luca, E. Neyts, X. Tu, A. Bogaerts, and N. Gerrits, J. Phys. Chem. C '''128''', 8611 (2024).|
link=https://doi.org/10.1021/acs.jpcc.4c01110
}}{{
Reference|key=smeets:jpca:2019|show={{{1}}}|
bib=E. W. S. Smeets, J. Voos, and G.-J. Kroes, J. Phys. Chem. A '''123''', 5395 (2019).|
link=http://dx.doi.org/10.1021/acs.jpca.9b02914
}}
}}

Latest revision as of 11:46, 18 December 2024

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}}.

Mind: Add new citations to the end of this list. Be wary of the whitespace here as it will be introduced to the other document when you include it via the template. A good test is that the preview page should be completely empty and not show any empty lines.
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