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Entries: 1-8  
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Stacking and registry effects in layered materials: The case of hexagonal boron nitride
Authors: Marom, Noa; Bernstein, Jonathan; Garel, Jonathan; Tkatchenko, Alexandre; Joselevich, Ernesto; Kronik, Leeor; Hod, Oded
Date of Publication (YYYY-MM-DD): 2010-07-19
Title of Journal: Physical Review Letters
Volume: 105
Issue / Number: 4
Start Page: 046801-1
End Page: 046801-4
Document Type: Article
ID: 477030.0
 
Full text / Content available
Two- and three-body interatomic dispersion energy contributions to binding in molecules and solids
Authors: von Lilienfeld, O. Anatole; Tkatchenko, Alexandre
Date of Publication (YYYY-MM-DD): 2010-06-17
Title of Journal: The Journal of Chemical Physics
Volume: 132
Issue / Number: 23
Start Page: 234109-1
End Page: 234109-11
Document Type: Article
ID: 475787.0
Van der Waals interactions between organic adsorbates and at organic/inorganic interfaces
Authors: Tkatchenko, Alexandre; Romaner, Lorenz; Hofmann, Oliver T.; Zojer, Egbert; Ambrosch-Draxl, Claudia; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2010-06
Title of Journal: MRS Bulletin
Volume: 35
Issue / Number: 6
Start Page: 435
End Page: 442
Document Type: Article
ID: 401189.0
Describing both dispersion interactions and electronic structure using density functional theory: The case of metal-phthalocyanine dimers
Authors: Marom, Noa; Tkatchenko, Alexandre; Scheffler, Matthias; Kronik, Leeor
Date of Publication (YYYY-MM-DD): 2010-01-13
Title of Journal: Journal of Chemical Theory and Computation
Volume: 6
Start Page: 81
End Page: 90
Document Type: Article
ID: 438856.0
Dispersion-corrected Møller-Plesset second-order perturbation theory
Authors: Tkatchenko, Alexandre; DiStasio, Robert A.; Head-Gordon, Martin; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2009-09-03
Title of Journal: Journal of Chemical Physics
Volume: 131
Issue / Number: 9
Start Page: 094106-1
End Page: 094106-7
Document Type: Article
ID: 434177.0
Accurate molecular van der Waals interactions from ground-state electron density and free-atom reference data
Authors: Tkatchenko, Alexandre; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2009-02-20
Title of Journal: Physical Review Letters
Volume: 102
Issue / Number: 7
Start Page: 073005-1
End Page: 073005-4
Document Type: Article
ID: 397067.0
 
Full text / Content available
On the accuracy of density-functional theory exchange-correlation functionals for H bonds in small water clusters. II. The water hexamer and van der Waals interactions.
Authors: Santra, Biswajit; Michaelides, Angelos; Fuchs, Martin; Tkatchenko, Alexandre; Filippi, Claudia; Scheffler, Matthias
Date of Publication (YYYY-MM-DD): 2008-11-20
Title of Journal: Journal of Chemical Physics
Volume: 129
Issue / Number: 19
Start Page: 194111-1
End Page: 194111-14
Document Type: Article
ID: 379152.0
 
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Popular Kohn-Sham density functionals strongly overestimate many-body interactions in van der Waals systems
Authors: Tkatchenko, Alexandre; von Lilienfeld, O. Anatole
Date of Publication (YYYY-MM-DD): 2008-07-24
Title of Journal: Physical Review B
Volume: 78
Issue / Number: 4
Start Page: 045116-1
End Page: 045116-6
Document Type: Article
ID: 367737.0
 
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Entries: 1-8  
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