scholarly journals Large exciton binding energies in MnPS3 as a case study of a van der Waals layered magnet

2021 ◽  
Vol 103 (12) ◽  
Author(s):  
Magdalena Birowska ◽  
Paulo E. Faria Junior ◽  
Jaroslav Fabian ◽  
Jens Kunstmann
Keyword(s):  
Van Der Waals ◽  
Binding Energies ◽  
Layered Magnet

Condensation energies for metals on glass and other substrates

1959 ◽  
Vol 252 (1270) ◽  
pp. 418-430 ◽  
Keyword(s):  
Sodium Chloride ◽  
Single Crystal ◽  
Physical Adsorption ◽  
Van Der Waals ◽  
Van Der Waals Forces ◽  
Potassium Bromide ◽  
Binding Energies ◽  
Adhesive Energy ◽  
Good Agreement

Earlier work on condensation phenomena is briefly reviewed, and existing measurements of condensation energies are summarized. Measurements of condensation energies have been made for aluminium, silver and cadmium on glass and for aluminium and silver on single-crystal cleavage surfaces of sodium chloride and potassium bromide. Adhesive energies or binding energies between film and substrate have been calculated in each case. Association energies for nucleation are obtained by difference and shown to be consistent. Results for cadmium show good agreement with earlier work, but results for aluminium do not agree with the earlier results of Rhodin who measured the condensation energies for aluminium on various substrates, obtaining values which suggest chemisorption. These results appear to be too high and a possible explanation is given. It is concluded that the adhesive energy is due to physical adsorption and can be explained in terms of van der Waals forces only.

scholarly journals Exact quantum dynamics background of dispersion interactions: case study for CH4·Ar in full (12) dimensions

2020 ◽  
Vol 22 (5) ◽  
pp. 2792-2802
Author(s):  
Gustavo Avila ◽  
Dóra Papp ◽  
Gábor Czakó ◽  
Edit Mátyus
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Ab Initio ◽  
Quantum Dynamics ◽  
Energy Surface ◽  
Van Der Waals ◽  
Dispersion Interactions ◽  
Van Der Waals Complex ◽  
Exact Quantum

A full-dimensional ab initio potential energy surface is developed and utilized in full-dimensional variational vibrational computations for the CH4·Ar van-der-Waals complex.

scholarly journals Benchmarking Several van der Waals Dispersion Approaches for the Description of Intermolecular Interactions

2018 ◽  
Author(s):  
Julien Claudot ◽  
Won June Kim ◽  
Anant Dixit ◽  
Hyungjun Kim ◽  
Tim Gould ◽  
...  
Keyword(s):  
Van Der Waals ◽  
Chem Phys ◽  
Binding Energies ◽  
Van Der Waals Interactions ◽  
Density Functionals ◽  
Many Body ◽  
Blind Test ◽  
Molecular Systems ◽  
Test Sets ◽  
The Many

Seven methods, including three van der Waals density functionals (vdW-DFs) and four different variants of the Tkatchenko-Scheffler (TS) methods, are tested on the A24, L7, and Taylor <i>et al.</i>'s "blind" test sets. It is found that for these systems, the vdW-DFs perform better that the TS methods. In particular, the vdW-DF-cx functional gives binding energies that are the closest to the reference values, while the many body correction of TS does not always lead to an improvement in the description of molecular systems. In light of these results, several directions for further improvements to describe van der Waals interactions are discussed.<br><br>Published as <i>J. Chem. Phys.</i> <b>148</b>, 064112 (2018)<br>

van der Waals binding energies and intermolecular vibrations of carbazole⋅R (R=Ne, Ar, Kr, Xe)

1995 ◽  
Vol 103 (10) ◽  
pp. 4035-4045 ◽  
Author(s):  
Thierry Droz ◽  
Thomas Bürgi ◽  
Samuel Leutwyler
Keyword(s):  
Van Der Waals ◽  
Binding Energies ◽  
Intermolecular Vibrations
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