Ab initio characterization of the Mg–HF van der Waals complex

2010 ◽  
Vol 133 (16) ◽  
pp. 164305 ◽  
Author(s):  
Jacek Koput ◽  
Jan Makarewicz
Keyword(s):  
Ab Initio ◽  
Van Der Waals ◽  
Van Der Waals Complex

scholarly journals Ab initio characterization of the Ne–I2 van der Waals complex: Intermolecular potentials and vibrational bound states

2011 ◽  
Vol 134 (21) ◽  
pp. 214304 ◽  
Author(s):  
Laura Delgado-Tellez ◽  
Álvaro Valdés ◽  
Rita Prosmiti ◽  
Pablo Villarreal ◽  
Gerardo Delgado-Barrio
Keyword(s):  
Ab Initio ◽  
Bound States ◽  
Van Der Waals ◽  
Intermolecular Potentials ◽  
Van Der Waals Complex

Ab initio characterization of the Ca–HCl van der Waals complex

2010 ◽  
Vol 132 (6) ◽  
pp. 064307 ◽  
Author(s):  
Jacek Koput ◽  
Jan Makarewicz
Keyword(s):  
Ab Initio ◽  
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.

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