Efficient optimization of van der Waals parameters from bulk properties

2013 ◽  
pp. n/a-n/a
Author(s):  
Steven K. Burger ◽  
G. Andrés Cisneros
Keyword(s):  
Van Der Waals ◽  
Bulk Properties

Comparative study of van der Waals corrections to the bulk properties of graphite

2015 ◽  
Vol 27 (41) ◽  
pp. 415502 ◽  
Author(s):  
Celso R C Rêgo ◽  
Luiz N Oliveira ◽  
Polina Tereshchuk ◽  
Juarez L F Da Silva
Keyword(s):  
Comparative Study ◽  
Van Der Waals ◽  
Bulk Properties

scholarly journals Bulk properties of the van der Waals hard ferromagnet VI3

2019 ◽  
Vol 99 (4) ◽  
Author(s):  
Suhan Son ◽  
Matthew J. Coak ◽  
Nahyun Lee ◽  
Jonghyeon Kim ◽  
Tae Yun Kim ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Bulk Properties ◽  
Hard Ferromagnet

van der Waals density functionals applied to corundum-type sesquioxides: bulk properties and adsorption of CH3 and C6H6 on (0001) surfaces

2016 ◽  
Vol 18 (33) ◽  
pp. 23139-23146 ◽  
Author(s):  
Samira Dabaghmanesh ◽  
Erik C. Neyts ◽  
Bart Partoens
Keyword(s):  
Van Der Waals ◽  
Closed Shell ◽  
Accurate Description ◽  
Density Functionals ◽  
Dispersion Interactions ◽  
Bulk Properties

van der Waals treatment of the DFT functionals highlights the importance of the dispersion interactions for an accurate description of bulk properties and adsorption of open- and closed-shell molecules on sesquioxide surfaces.

Molecular van der Waals symmetry affecting bulk properties of condensed phases: melting and boiling points

2007 ◽  
Vol 18 (4) ◽  
pp. 477-491 ◽  
Author(s):  
Yuri L. Slovokhotov ◽  
Andrei S. Batsanov ◽  
Judith A. K. Howard
Keyword(s):  
Van Der Waals ◽  
Condensed Phases ◽  
Bulk Properties ◽  
Boiling Points

Corrigendum: Comparative study of van der Waals corrections to the bulk properties of graphite (2015J. Phys.: Condens. Matter27415502)

2016 ◽  
Vol 28 (12) ◽  
pp. 129501 ◽  
Author(s):  
Celso R C Rêgo ◽  
Luiz N Oliveira ◽  
Polina Tereshchuk ◽  
Juarez L F Da Silva
Keyword(s):  
Comparative Study ◽  
Van Der Waals ◽  
Bulk Properties

Infrared diode laser jet spectroscopy of the van der Waals complex (N2O)2

1997 ◽  
Vol 91 (4) ◽  
pp. 689-696 ◽  
Author(s):  
HAI-BO QIAN ◽  
WOUTER HERREBOUT ◽  
BRIAN HOWARD
Keyword(s):  
Diode Laser ◽  
Van Der Waals ◽  
Van Der Waals Complex
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