Template:Cite: Difference between revisions

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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 1,346: Line 1,350:
bib=Ph. Ghosez, J.-P. Michenaud, and X. Gonze, ''Dynamical atomic charges: The case of AB⁢O3 compounds'', Phys. Rev. B '''58''', 6224 (1998).|  
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
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}}}|  
Reference|key=engel:prb:2022|show={{{1}}}|  
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bib=J. Kübler, ''Theory of itinerant electron magnetism'', Vol. 106. Oxford University Press (2000).|
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
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
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bib=C. A. Rozzi, D. Varsano, A. Marini, E. K. Gross, A. J. Rubio, Phys. Rev. B 73(20), 20511 (2006).| 
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}}{{
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).| 
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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
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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).| 
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}}{{
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).|
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}}{{
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
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bib=J. Bao and D. Truhlar, ''Variational transition state theory: theoretical framework and recent developments'', Chem. Soc. Rev. '''46''', 7548 (2017).|
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bib=D. Truhlar, B. Garrett, and S. Klippenstein, ''Current Status of Transition-State Theory'', J. Phys. Chem. '''100''', 12771 (1996).|
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}}
}}

Latest revision as of 12:46, 5 November 2024

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