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Elsebeth Schröder
Elsebeth Schröder
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Van der Waals density functional for general geometries
M Dion, H Rydberg, E Schröder, DC Langreth, BI Lundqvist
Physical review letters 92 (24), 246401, 2004
52692004
Van der Waals density functional for general geometries
M Dion, H Rydberg, E Schröder, DC Langreth, BI Lundqvist
Physical review letters 92 (24), 246401, 2004
52692004
Van der Waals density functional for layered structures
H Rydberg, M Dion, N Jacobson, E Schröder, P Hyldgaard, SI Simak, ...
Physical review letters 91 (12), 126402, 2003
7482003
van der Waals forces in density functional theory: a review of the vdW-DF method
K Berland, VR Cooper, K Lee, E Schröder, T Thonhauser, P Hyldgaard, ...
Reports on Progress in Physics 78 (6), 066501, 2015
6362015
A density functional for sparse matter
DC Langreth, BI Lundqvist, SD Chakarova-Käck, VR Cooper, M Dion, ...
Journal of Physics: Condensed Matter 21 (8), 084203, 2009
5752009
Application of van der Waals density functional to an extended system: Adsorption of benzene and naphthalene on graphite
SD Chakarova-Käck, E Schröder, BI Lundqvist, DC Langreth
Physical review letters 96 (14), 146107, 2006
4612006
Van der Waals density functional theory with applications
DC Langreth, M Dion, H Rydberg, E Schröder, P Hyldgaard, BI Lundqvist
International journal of quantum chemistry 101 (5), 599-610, 2005
3932005
Spin signature of nonlocal correlation binding in metal-organic frameworks
T Thonhauser, S Zuluaga, CA Arter, K Berland, E Schröder, P Hyldgaard
Physical review letters 115 (13), 136402, 2015
2422015
Stacking interactions and the twist of DNA
VR Cooper, T Thonhauser, A Puzder, E Schröder, BI Lundqvist, ...
Journal of the American Chemical Society 130 (4), 1304-1308, 2008
2152008
Potassium intercalation in graphite: A van der Waals density-functional study
E Ziambaras, J Kleis, E Schröder, P Hyldgaard
Physical Review B 76 (15), 155425, 2007
1782007
van der Waals density functionals built upon the electron-gas tradition: Facing the challenge of competing interactions
K Berland, CA Arter, VR Cooper, K Lee, BI Lundqvist, E Schröder, ...
The Journal of chemical physics 140 (18), 18A539, 2014
1162014
Physisorption of nucleobases on graphene: a comparative van der Waals study
D Le, A Kara, E Schröder, P Hyldgaard, TS Rahman
Journal of Physics: Condensed Matter 24 (42), 424210, 2012
1132012
Towards a working density-functional theory for polymers: First-principles determination of the polyethylene crystal structure
J Kleis, BI Lundqvist, DC Langreth, E Schröder
Physical Review B 76 (10), 100201, 2007
1112007
Adsorption of phenol on graphite (0001) and α− Al 2 O 3 (0001): Nature of van der Waals bonds from first-principles calculations
SD Chakarova-Käck, Ø Borck, E Schröder, BI Lundqvist
Physical Review B 74 (15), 155402, 2006
982006
Role of van der Waals bonding in the layered oxide : First-principles density-functional calculations
E Londero, E Schröder
Physical Review B 82 (5), 054116, 2010
882010
Hydrogen dynamics in magnesium and graphite
N Jacobson, B Tegner, E Schröder, P Hyldgaard, BI Lundqvist
Computational materials science 24 (1-2), 273-277, 2002
802002
Interpretation of van der Waals density functionals
P Hyldgaard, K Berland, E Schröder
Physical Review B 90 (7), 075148, 2014
782014
Binding of polycyclic aromatic hydrocarbons and graphene dimers in density functional theory
SD Chakarova-Käck, A Vojvodic, J Kleis, P Hyldgaard, E Schröder
New Journal of Physics 12 (1), 013017, 2010
772010
Theory for structure and bulk modulus determination
E Ziambaras, E Schröder
Physical Review B 68 (6), 064112, 2003
702003
Benchmarking van der Waals density functionals with experimental data: potential-energy curves for H2 molecules on Cu (111),(100) and (110) surfaces
K Lee, K Berland, M Yoon, S Andersson, E Schröder, P Hyldgaard, ...
Journal of Physics: Condensed Matter 24 (42), 424213, 2012
652012
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Artiklar 1–20