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Multicomponent Density-Functional Theory

Referentgranskad
DOI
10.1007/978-3-642-23518-4_12
van Leeuwen, Robert; Gross, E.K.U.
Lecture notes in physics2012Publicationer information ikon

All-electron density functional theory and time-dependent density functional theory with high-order finite elements

Referentgranskad
Öppen tillgång
DOI
10.1063/1.3176508
Lehtovaara, Lauri; Havu, Ville; Puska, Martti
Journal of Chemical Physics2009Publicationer information ikon

Robust acceleration of self consistent field calculations for density functional theory

Referentgranskad
DOI
10.1063/1.3574836
Baarman, Kurt; Eirola, Timo; Havu, Ville
Journal of Chemical Physics2011Publicationer information ikon

Reduced density-matrix functional theory in quantum Hall systems

Referentgranskad
DOI
10.1103/PhysRevB.81.075321
Tölö, Eero; Harju, A.
Physical Review B2010Publicationer information ikon

Optical properties of nanocluster from time-dependent density-functional theory

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Koponen, Laura
Aalto-yliopiston teknillinen korkeakoulu2010Publicationer information ikon

Lattice dynamics calculations based on density-functional perturbation theory in real space

Referentgranskad
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DOI
10.1016/j.cpc.2017.02.001
Shang, Honghui; Carbogno, Christian; Rinke, Patrick; Scheffler, Matthias
Computer Physics Communications2017Publicationer information ikon

Van der Waals interactions in density-functional theory: implementation and applications

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Guļāns, Andris
Aalto University2012Publicationer information ikon

Adsorption of CO2 on ω-Fe (0001) surface: Insights from density functional theory

Referentgranskad
Öppen tillgång
DOI
10.1039/D0RA09194D
Assa Aravindh, S.; Cao, W.; Alatalo, M.; Huttula, M.; Kömi, J.
Rsc advances2021Publicationer information ikon

Isobaric multiplet mass equation within nuclear density functional theory

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DOI
10.1088/1361-6471/aaffe4
Baczyk, P.; Satula, W.; Dobaczewski, Jacek; Konieczka, M.
Journal of physics g: nuclear and particle physics2019Publicationer information ikon

Paramagnetic NMR chemical shift theory : combined ab initio/density-functional theory method

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Rouf, Syed Awais
Report series in physical sciences2017

Multicomponent Density-Functional Theory

Referentgranskad
DOI
10.1007/978-3-642-23518-4_12
2012

All-electron density functional theory and time-dependent density functional theory with high-order finite elements

Referentgranskad
Öppen tillgång
DOI
10.1063/1.3176508
2009

Robust acceleration of self consistent field calculations for density functional theory

Referentgranskad
DOI
10.1063/1.3574836
2011

Reduced density-matrix functional theory in quantum Hall systems

Referentgranskad
DOI
10.1103/PhysRevB.81.075321
2010

Optical properties of nanocluster from time-dependent density-functional theory

Öppen tillgång
2010

Lattice dynamics calculations based on density-functional perturbation theory in real space

Referentgranskad
Öppen tillgång
DOI
10.1016/j.cpc.2017.02.001
2017

Van der Waals interactions in density-functional theory: implementation and applications

Öppen tillgång
2012

Adsorption of CO2 on ω-Fe (0001) surface: Insights from density functional theory

Referentgranskad
Öppen tillgång
DOI
10.1039/D0RA09194D
2021

Isobaric multiplet mass equation within nuclear density functional theory

Öppen tillgång
DOI
10.1088/1361-6471/aaffe4
2019

Paramagnetic NMR chemical shift theory : combined ab initio/density-functional theory method

Öppen tillgång
2017