相关参考文献
注意：仅列出部分参考文献，下载原文获取全部文献信息。A density functional for sparse matter
D. C. Langreth et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2009)
Energetics and Dynamics of H2 Adsorbed in a Nanoporous Material at Low Temperature
Lingzhu Kong et al.
PHYSICAL REVIEW LETTERS (2009)
Nature and strength of bonding in a crystal of semiconducting nanotubes:: van der Waals density functional calculations and analytical results
Jesper Kleis et al.
PHYSICAL REVIEW B (2008)
Subnanometer motion of cargoes driven by thermal gradients along carbon nanotubes
Amelia Barreiro et al.
SCIENCE (2008)
Van der Waals density functional: Self-consistent potential and the nature of the van der Waals bond
T. Thonhauser et al.
PHYSICAL REVIEW B (2007)
Asymptotics of the dispersion interaction: Analytic benchmarks for van der Waals energy functionals
JF Dobson et al.
PHYSICAL REVIEW LETTERS (2006)
Interwall interaction and elastic properties of carbon nanotubes
E Bichoutskaia et al.
PHYSICAL REVIEW B (2006)
van der Waals forces in density functional theory:: Perturbational long-range electron-interaction corrections -: art. no. 012510
JG Angyán et al.
PHYSICAL REVIEW A (2005)
Ab initio study of relative motion of walls in carbon nanotubes -: art. no. 113403
E Bichoutskaia et al.
PHYSICAL REVIEW B (2005)
Accurate description of van der Waals complexes by density functional theory including empirical corrections
S Grimme
JOURNAL OF COMPUTATIONAL CHEMISTRY (2004)
Van der Waals density functional for general geometries -: art. no. 246401
M Dion et al.
PHYSICAL REVIEW LETTERS (2004)
Optimization of effective atom centered potentials for London dispersion forces in density functional theory
OA von Lilienfeld et al.
PHYSICAL REVIEW LETTERS (2004)
Systematic generation of finite-range atomic basis sets for linear-scaling calculations
E Anglada et al.
PHYSICAL REVIEW B (2002)
First-principles computation of material properties: the ABINIT software project
X Gonze et al.
COMPUTATIONAL MATERIALS SCIENCE (2002)
The SIESTA method for ab initio order-N materials simulation
JM Soler et al.
JOURNAL OF PHYSICS-CONDENSED MATTER (2002)
Anomalous potential barrier of double-wall carbon nanotube
R Saito et al.
CHEMICAL PHYSICS LETTERS (2001)
Evaluation of exchange-correlation energy, potential, and stress -: art. no. 165110
LC Balbás et al.
PHYSICAL REVIEW B (2001)
Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment
M Elstner et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Interaction energies of van der Waals and hydrogen bonded systems calculated using density functional theory:: Assessing the PW91 model
S Tsuzuki et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Low-friction nanoscale linear bearing realized from multiwall carbon nanotubes
J Cumings et al.
SCIENCE (2000)
Noncovalent interactions: A challenge for experiment and theory
K Muller-Dethlefs et al.
CHEMICAL REVIEWS (2000)
分享论文
