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Publications information icon

Disorder and interactions in systems out of equilibrium : the exact independent-particle picture from density functional theory

Peer-reviewed
Open access
DOI
10.1103/physrevb.97.125151
Karlsson, Daniel; Hopjan, Miroslav; Verdozzi, Claudio
Physical Review B2018Publications information icon

Shell evolution above Z,N=50 within Skyrme density functional theory: The impact of deformation and tensor interactions

Peer-reviewed
Open access
DOI
10.1103/PhysRevC.95.034307
Shi, Yue
Physical Review C2017Publications information icon

Screening the bulk properties and reducibility of Fe-doped Mn2O3 from first principles calculations

Peer-reviewed
Open access
DOI
10.1016/j.cattod.2017.02.004
Bazhenova, Elena; Honkala, Karoliina
Catalysis Today2017Publications information icon

Editorial for PCCP themed issue "Developments in Density Functional Theory"

DOI
10.1039/C6CP90143C
van Leeuwen, Robert; Neugebauer, Johannes; Visscher, Lucas; Bickelhaupt, F. Matthias
Physical Chemistry Chemical Physics2016Publications information icon

Strong-interaction Isospin-symmetry Breaking Within the Density Functional Theory

Peer-reviewed
Open access
DOI
10.5506/APhysPolBSupp.8.539
Baczyk, Pawel; Dobaczewski, Jacek; Konieczka, Maciej; Satula, Wojciech
Acta Physica Polonica B, Proceedings Supplement2015Publications information icon

Beta-Decay Studies in N ≈ Z Nuclei Using No-Core Configuration-Interaction Model

Peer-reviewed
Open access
DOI
10.7566/JPSCP.6.020015
Satuła, Wojciech; Dobaczewski, Jacek; Konieczka, Maciej
JPS Conference Proceedings2015Publications information icon

Tailoring oxide properties: An impact on adsorption characteristics of molecules and metals

Peer-reviewed
Open access
DOI
10.1016/j.surfrep.2014.09.002
Honkala, Karoliina
Surface Science Reports2014Publications information icon

Pd-catalyzed hydrodehalogenation of chlorinated olefins: Theoretical insights to the reaction mechanism

Peer-reviewed
DOI
10.1016/j.jcat.2012.03.006
Andersin, Jenni; Parkkinen, Pauli; Honkala, Karoliina
Journal of Catalysis2012Publications information icon

Response calculations based on an independent particle system with the exact one- particle density matrix: Excitation energies

Peer-reviewed
Open access
DOI
10.1063/1.3687344
Giesbertz, Klaas; Gritsenko, O. V.; Baerends, E. J.
Journal of Chemical Physics2012Publications information icon

Atomic Layer Deposition of Aluminum Oxide on TiO2 and Its Impact on N3 Dye Adsorption from First Principles

Peer-reviewed
DOI
10.1021/jp2011827
Mäkinen, Ville; Honkala, Karoliina; Häkkinen, Hannu
Journal of Physical Chemistry C2011

Disorder and interactions in systems out of equilibrium : the exact independent-particle picture from density functional theory

Peer-reviewed
Open access
DOI
10.1103/physrevb.97.125151
2018

Shell evolution above Z,N=50 within Skyrme density functional theory: The impact of deformation and tensor interactions

Peer-reviewed
Open access
DOI
10.1103/PhysRevC.95.034307
2017

Screening the bulk properties and reducibility of Fe-doped Mn2O3 from first principles calculations

Peer-reviewed
Open access
DOI
10.1016/j.cattod.2017.02.004
2017

Editorial for PCCP themed issue "Developments in Density Functional Theory"

DOI
10.1039/C6CP90143C
2016

Strong-interaction Isospin-symmetry Breaking Within the Density Functional Theory

Peer-reviewed
Open access
DOI
10.5506/APhysPolBSupp.8.539
2015

Beta-Decay Studies in N ≈ Z Nuclei Using No-Core Configuration-Interaction Model

Peer-reviewed
Open access
DOI
10.7566/JPSCP.6.020015
2015

Tailoring oxide properties: An impact on adsorption characteristics of molecules and metals

Peer-reviewed
Open access
DOI
10.1016/j.surfrep.2014.09.002
2014

Pd-catalyzed hydrodehalogenation of chlorinated olefins: Theoretical insights to the reaction mechanism

Peer-reviewed
DOI
10.1016/j.jcat.2012.03.006
2012

Response calculations based on an independent particle system with the exact one- particle density matrix: Excitation energies

Peer-reviewed
Open access
DOI
10.1063/1.3687344
2012

Atomic Layer Deposition of Aluminum Oxide on TiO2 and Its Impact on N3 Dye Adsorption from First Principles

Peer-reviewed
DOI
10.1021/jp2011827
2011