Zobrazeno 1 - 5
of 5
pro vyhledávání: '"Max Dion"'
Autor:
Max Dion, Henrik Rydberg, Per Hyldgaard, Elsebeth Schröder, David C. Langreth, Bengt I. Lundqvist
Publikováno v:
International Journal of Quantum Chemistry. 101:599-610
The details of a density functional that includes van der Waals (vdW) interactions are presented. In particular we give some key steps of the transition from a form for fully planar systems to a procedure for realistic layered compounds that have pla
Autor:
Per Hyldgaard, Valentino R. Cooper, Max Dion, Svetla D. Chakarova-Käck, Eamonn Murray, Aaron Puzder, Henrik Rydberg, Timo Thonhauser, Elsebeth Schröder, André K. Kelkkanen, Lingzhu Kong, Bengt I. Lundqvist, Poul Georg Moses, Jesper Kleis, David C. Langreth, Shen Li
Publikováno v:
Journal of physics. Condensed matter : an Institute of Physics journal. 21(8)
Sparse matter is abundant and has both strong local bonds and weak nonbonding forces, in particular nonlocal van der Waals (vdW) forces between atoms separated by empty space. It encompasses a broad spectrum of systems, like soft matter, adsorption s
Erratum: Van der Waals Density Functional for General Geometries [Phys. Rev. Lett.92, 246401 (2004)]
Publikováno v:
Physical Review Letters. 95
A scheme within density functional theory is proposed that provides a practical way to generalize to unrestricted geometries the method applied with some success to layered geometries [H. Rydberg, et al., Phys. Rev. Lett. 91, 126402 (2003)]. It inclu
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a84e9ca63c1835daf2cf17a8ff0e99e4
Autor:
S. I. Simak, Henrik Rydberg, Niclas Jacobson, David C. Langreth, Elsebeth Schröder, Max Dion, Bengt I. Lundqvist, Per Hyldgaard
To understand sparse systems we must account for both strong local atom bonds and weak nonlocal van der Waals forces between atoms separated by empty space. A fully nonlocal functional form [H. Rydberg, B.I. Lundqvist, D.C. Langreth, and M. Dion, Phy
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7019193434a660c8b59234c070a36aa4
http://arxiv.org/abs/cond-mat/0306033
http://arxiv.org/abs/cond-mat/0306033