ref [12] · 2609.08913 · notice #10903 · dispute
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; Junquera, J.; Ordejon, P.; Sanchez-Portal, D. The SIESTA method for ab initio order-N materials simulation. Journal of Physics: Condensed Matter 14, 2745-2779 (2002). 12. Gibbons, T. M.; Bebek, M. B.; Kang, B.; Stanley, C. M.; Estreicher, S. K. Phonon-phonon interactions: First-principles theory. Journal of Applied Physics 118, 085103 (2015). DOI: 10.1063/1.4929487. 13. Garcia, A. et al. Siesta: Recent developments and applications. Journal of Chemical Physics 152, 204108 (2020). DOI: 10.1063/5.0005077. 14. Jofre, J.; Gheribi, A. E.; Harvey, J.-P. Development of a flexible quasi-harmonic-based approach for fast generation of self-consistent thermodynamic properties used in computational thermochemistry. Calphad
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Junquera, J.; Ordejon, P.; Sanchez-Portal, D. The SIESTA method for ab initio order-N materials simulation. Journal of Physics: Condensed Matter 14, 2745-2779 (2002). 12. Gibbons, T. M.; Bebek, M. B.; Kang, B.; Stanley, C. M.; Estreicher, S. K. Phonon-phonon interactions: First-principles theory. Journal of Applied Physics 118, 085103 (2015). DOI: 10.1063/1.4929487. 13. Garcia, A. et al. Siesta: Recent developments and applications. Journal of Chemical Physics 152, 204108 (2020). DOI: 10.1063/5.0005077. 14. Jofre, J.; Gheribi, A. E.; Harvey, J.-P. Development of a flexible quasi-harmonic-based approach for fast generation of self-consistent thermodynamic properties used in computational thermochemistry. Calphad