A1 Journal article (refereed)
Space partitioning of exchange-correlation functionals with the projector augmented-wave method (2019)


Levämäki, H., Kuisma, M., & Kokko, K. (2019). Space partitioning of exchange-correlation functionals with the projector augmented-wave method. Journal of Chemical Physics, 150 (5), 054101. doi:10.1063/1.5078432


JYU authors or editors


Publication details

All authors or editors: Levämäki, H.; Kuisma, Mikael; Kokko, K.

Journal or series: Journal of Chemical Physics

ISSN: 0021-9606

Publication year: 2019

Volume: 150

Issue number: 5

Article number: 054101

Publisher: AIP Publishing LLC

Publication country: United States

Publication language: English

DOI: https://doi.org/10.1063/1.5078432

Open Access: Publication channel is not openly available

Publication is parallel published (JYX): https://jyx.jyu.fi/handle/123456789/63031


Keywords: density functional theory; approximation; alloys

Free keywords: Voronoi diagrams; generalized gradient approximations; projector augmented wave method; exchange correlation functionals


Contributing organizations


Ministry reporting: Yes

Reporting Year: 2019

JUFO rating: 1


Last updated on 2020-18-10 at 21:05