A four-dimensional potential energy surface and predicted infrared spectra for the Ne-D2O van der Waals complex in the ν2 bending region of D2O molecule

2016 ◽  
Vol 665 ◽  
pp. 71-75
Author(s):  
Shanshan He ◽  
Dong Chen ◽  
Ya Li ◽  
Eryin Feng ◽  
Wuying Huang
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Infrared Spectra ◽  
Energy Surface ◽  
Van Der Waals ◽  
Van Der Waals Complex

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.

Potential energy surface of the CO2–N2 van der Waals complex

2015 ◽  
Vol 142 (17) ◽  
pp. 174301 ◽  
Author(s):  
Sameh Nasri ◽  
Yosra Ajili ◽  
Nejm-Eddine Jaidane ◽  
Yulia N. Kalugina ◽  
Philippe Halvick ◽  
...  
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Van Der Waals ◽  
Van Der Waals Complex
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