Chalmers Research

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Showing 69 publications

2017

The vdW-DF Family of Non-Local Exchange-Correlation Functionals

Elsebeth Schröder, Valentino R Cooper, Kristian Berland et al

Non-covalent Interactions in Quantum Chemistry and Physics: Theory and Applications, p. Chapter 8-undefined

Book chapter

2015

van der Waals forces in density functional theory: a review of the vdW-DF method

Kristian Berland, Valentino R Cooper, Kyuho Lee et al

Reports on Progress in Physics (6), p. 066501-undefined

Journal article

2014

van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions

Kristian Berland, Calvin A. Arter, Valentino R Cooper et al

Journal of Chemical Physics (18), p. 18A539 -undefined

Journal article

2012

Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu(111), (100) and (110) surfaces

Kyuho Lee, Kristian Berland, Mina Yoon et al

Journal of Physics Condensed Matter (42), p. artikel nr 424213-undefined

Journal article

2011

Evaluation of a density functional with account of van der Waals forces using experimental data of H2 physisorption on Cu(111)

Kuyho Lee, André Kelkkanen, Kristian Berland et al

Physical Review B - Condensed Matter and Materials Physics, p. 193408-undefined

Journal article

2011

Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like

A. Mogelhoj, A. K. Kelkkanen, K. T. Wikfedt et al

Journal of Physical Chemistry B (48), p. 14149-14160

Journal article

2011

van der Waals effect in weak adsorption affecting trends in adsorption, reactivity, and the view of substrate nobility

A.K. Kelkkanen, Bengt Lundqvist, J.K. Nørskov

Physical Review B - Condensed Matter and Materials Physics (11)

Journal article

2010

RPBE-vdW Description of Benzene Adsorption on Au(111)

J Wellendorff, A Kelkkanen, J J Mortensen et al

Topics in Catalysis (5-6), p. 378-undefined

Journal article

2010

Atomic and molecular adsorption on transition-metal carbide (111) surfaces from density-functional theory: a trend study of surface electronic factors

Aleksandra Vojvodic, Carlo Ruberto, Bengt Lundqvist

Journal of Physics Condensed Matter (37)

Journal article

2010

Molecular systems, growth and overlayers: van der Waals density functional and first-principles thermodynamics calculations

Kristian Berland, Jochen Rohrer, A Kelkkanen et al

SNIC progress report 08/09. Swedish national infrastructure for computing.

Book chapter

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