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Page 1
Origin of the success of mGGAs for bandgaps.
Kovács P, Blaha P, Madsen GKH. Kovács P, et al. Among authors: blaha p. J Chem Phys. 2023 Dec 28;159(24):244118. doi: 10.1063/5.0179260. J Chem Phys. 2023. PMID: 38156634
CO Adsorption and Disproportionation on Smooth and Defect-Rich Ir(111).
Li X, Haunold T, Werkovits S, Marks LD, Blaha P, Rupprechter G. Li X, et al. Among authors: blaha p. J Phys Chem C Nanomater Interfaces. 2022 Apr 21;126(15):6578-6589. doi: 10.1021/acs.jpcc.2c01141. Epub 2022 Apr 8. J Phys Chem C Nanomater Interfaces. 2022. PMID: 35493699 Free PMC article.
Pristine quantum criticality in a Kondo semimetal.
Fuhrman WT, Sidorenko A, Hänel J, Winkler H, Prokofiev A, Rodriguez-Rivera JA, Qiu Y, Blaha P, Si Q, Broholm CL, Paschen S. Fuhrman WT, et al. Among authors: blaha p. Sci Adv. 2021 May 19;7(21):eabf9134. doi: 10.1126/sciadv.abf9134. Print 2021 May. Sci Adv. 2021. PMID: 34138738 Free PMC article.
59 results