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Inclusion of dispersion effects in density functional theory: Development and application
Møgelhøj, Andreas
(PhD Student)
Jacobsen, Karsten Wedel
(Main Supervisor)
Nørskov, Jens Kehlet
(Supervisor)
Brandbyge, Mads
(Examiner)
Mikkelsen, Kurt V.
(Examiner)
Jónsson, Hannes
(Examiner)
Department of Physics
Overview
Fingerprint
Research output
(1)
Project Details
Status
Finished
Effective start/end date
01/07/2009
→
22/08/2012
Funding
Technical University of Denmark
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Explore the research topics touched on by this project. These labels are generated based on the underlying awards/grants. Together they form a unique fingerprint.
Density Functional Theory
Chemistry
100%
Van Der Waals Force
Chemistry
100%
Density
Material Science
100%
Molecular Dynamics
Chemistry
80%
Desorption
Material Science
66%
Sorption
Chemistry
40%
Liquid Water
Chemistry
40%
Generalized Gradient Approximation
Chemistry
40%
Research output
Research output per year
2012
2012
2012
1
Ph.D. thesis
Research output per year
Research output per year
Inclusion of Dispersion Effects in Density Functional Theory: Development and Application
Møgelhøj, A.,
2012
, Kgs. Lyngby:
Technical University of Denmark
.
207 p.
Research output
:
Book/Report
›
Ph.D. thesis
Open Access
File
Density Functional Theory
100%
Van Der Waals Force
100%
Density
100%
Molecular Dynamics
80%
Desorption
66%
3574
Downloads (Pure)