This site needs JavaScript to work properly. Please enable it to take advantage of the complete set of features!

Skip to main page content

Add to Collections

Your saved search

Name of saved search:

Search terms:

Test search terms

Would you like email updates of new search results?

Yes
No

Email: (change)

Frequency:

Which day?

Which day?

Report format:

Send at most:

Send even when there aren't any new results

Optional text in email:

Your RSS Feed

. 1994 Dec 15;50(24):17953-17979.

doi: 10.1103/physrevb.50.17953.

Projector augmented-wave method

PMID: 9976227
DOI: 10.1103/physrevb.50.17953

Projector augmented-wave method

PE Blöchl. Phys Rev B Condens Matter. 1994.

. 1994 Dec 15;50(24):17953-17979.

doi: 10.1103/physrevb.50.17953.

Author

PMID: 9976227
DOI: 10.1103/physrevb.50.17953

No abstract available

PubMed Disclaimer

Similar articles

Relaxed core projector-augmented-wave method.
Marsman M, Kresse G. Marsman M, et al. J Chem Phys. 2006 Sep 14;125(10):104101. doi: 10.1063/1.2338035. J Chem Phys. 2006. PMID: 16999509
Computation of NMR observables: Consequences of projector-augmented wave sphere overlap.
Zwanziger JW. Zwanziger JW. Solid State Nucl Magn Reson. 2016 Nov;80:14-18. doi: 10.1016/j.ssnmr.2016.10.005. Epub 2016 Oct 21. Solid State Nucl Magn Reson. 2016. PMID: 27833006
Nonadiabatic Ehrenfest molecular dynamics within the projector augmented-wave method.
Ojanperä A, Havu V, Lehtovaara L, Puska M. Ojanperä A, et al. J Chem Phys. 2012 Apr 14;136(14):144103. doi: 10.1063/1.3700800. J Chem Phys. 2012. PMID: 22502497
Second-order Møller-Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set.
Marsman M, Grüneis A, Paier J, Kresse G. Marsman M, et al. J Chem Phys. 2009 May 14;130(18):184103. doi: 10.1063/1.3126249. J Chem Phys. 2009. PMID: 19449904
Time-dependent density-functional theory in the projector augmented-wave method.
Walter M, Häkkinen H, Lehtovaara L, Puska M, Enkovaara J, Rostgaard C, Mortensen JJ. Walter M, et al. J Chem Phys. 2008 Jun 28;128(24):244101. doi: 10.1063/1.2943138. J Chem Phys. 2008. PMID: 18601311

See all similar articles

Cited by

Synthesis and structure of a non-van-der-Waals two-dimensional coordination polymer with superconductivity.
Pan Z, Huang X, Fan Y, Wang S, Liu Y, Cong X, Zhang T, Qi S, Xing Y, Zheng YQ, Li J, Zhang X, Xu W, Sun L, Wang J, Dou JH. Pan Z, et al. Nat Commun. 2024 Oct 29;15(1):9342. doi: 10.1038/s41467-024-53786-1. Nat Commun. 2024. PMID: 39472440 Free PMC article.
Thermo-chemical environment-dependent vacancy formation in Fe₂WO₆: A DFT study.
Seo K, Lee D, Lee S. Seo K, et al. Heliyon. 2024 Oct 17;10(20):e39414. doi: 10.1016/j.heliyon.2024.e39414. eCollection 2024 Oct 30. Heliyon. 2024. PMID: 39502217 Free PMC article.
Interfacial superstructures and chemical bonding transitions at metal-ceramic interfaces.
Yang C, Hu C, Xiang C, Nie H, Gu X, Xie L, He J, Zhang W, Yu Z, Luo J. Yang C, et al. Sci Adv. 2021 Mar 12;7(11):eabf6667. doi: 10.1126/sciadv.abf6667. Print 2021 Mar. Sci Adv. 2021. PMID: 33712470 Free PMC article.
Bandgap Engineering in the Configurational Space of Solid Solutions via Machine Learning: (Mg,Zn)O Case Study.
Midgley SD, Hamad S, Butler KT, Grau-Crespo R. Midgley SD, et al. J Phys Chem Lett. 2021 Jun 3;12(21):5163-5168. doi: 10.1021/acs.jpclett.1c01031. Epub 2021 May 25. J Phys Chem Lett. 2021. PMID: 34032426 Free PMC article.
Improving the HER Activity and Stability of Pt Nanoparticles by Titanium Oxynitride Support.
Smiljanić M, Panić S, Bele M, Ruiz-Zepeda F, Pavko L, Gašparič L, Kokalj A, Gaberšček M, Hodnik N. Smiljanić M, et al. ACS Catal. 2022 Oct 21;12(20):13021-13033. doi: 10.1021/acscatal.2c03214. Epub 2022 Oct 12. ACS Catal. 2022. PMID: 36313525 Free PMC article.

See all "Cited by" articles

LinkOut - more resources

Full Text Sources
- American Physical Society
Other Literature Sources
- The Lens - Patent Citations Database