Jesper Kleis

Showing 16 publications

2010

Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory

Svetla Chakarova Käck, Aleksandra Vojvodic, Jesper Kleis et al
New Journal of Physics. Vol. 12, p. Art. Nr. 013017-
Journal article
2009

A density functional for sparse matter

D. C. Langreth, Bengt Lundqvist, Svetla Chakarova Käck et al
Journal of Physics Condensed Matter. Vol. 21 (8), p. 084203-
Journal article
2008

Influence of van der Waals forces on the adsorption structure of benzene on silicon studied using density functional theory

K Johnston, Jesper Kleis, Bengt Lundqvist
Phys. Rev. B. Vol. 77, p. 121404-
Journal article
2008

Nature and strength of bonding in a crystal of semiconducting nanotubes: van der Waals density functional calculations and analytical results

Jesper Kleis, Elsebeth Schröder, Per Hyldgaard
Physical Review B - Condensed Matter and Materials Physics. Vol. 77 (20), p. 205422-
Journal article
2007

Potassium intercalation in graphite: A van der Waals density-functional study

Eleni Ziambaras, Jesper Kleis, Elsebeth Schröder et al
Physical Review B. Vol. 76 (15), p. 155425-
Journal article
2007

Towards a working density-functional theory for polymers: First-principles determination of the polyethylene crystal structure

Jesper Kleis, Bengt Lundqvist, David C. Langreth et al
Physical Review B. Vol. 76 (10), p. 100201(R)-
Journal article
2006

Interactions in nanotube bundles: A first-principles investigation

Jesper Kleis, Per Hyldgaard, Elsebeth Schröder
Preprint
2006

Dimers of polycyclic aromatic hydrocarbons in density functional theory

Svetla Chakarova Käck, Jesper Kleis, Elsebeth Schröder
Preprint
2006

Potassium intercalation in graphite: A van der Waals density functional theory study

Eleni Ziambaras, Jesper Kleis, Elsebeth Schröder et al
Report
2006

First-principles determination of the polyethylene crystal structure

Jesper Kleis, Bengt Lundqvist, David C. Langreth et al
Preprint
2005

Van der Waals interaction of simple, parallel polymers

Jesper Kleis, Elsebeth Schröder
Journal of Chemical Physics. Vol. 122, p. 164902-
Journal article
2005

Van der Waals interaction of parallel polymers and nanotubes

Jesper Kleis, Per Hyldgaard, Elsebeth Schröder
Computational Materials Science. Vol. vol. 33, p. 192-
Journal article
2005

First-principles calculations of polymer interactions

Jesper Kleis
Licentiate thesis

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