Symmetry-adapted perturbation theory of potential-energy surfaces for weakly bound molecular complexes

1994 ◽  
Vol 307 ◽  
pp. 135-151 ◽  
Author(s):  
Tatiana Cwiok ◽  
Bogumil Jeziorski ◽  
Wlodzimierz Kolos ◽  
Robert Moszynski ◽  
Krzysztof Szalewicz
Keyword(s):  
Perturbation Theory ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Molecular Complexes ◽  
Weakly Bound ◽  
Energy Surfaces

Molecular complexes with interacting van der Waals and ionic excited states. 1. Calculations of potential energy surfaces

1989 ◽  
Vol 93 (10) ◽  
pp. 3941-3948 ◽  
Author(s):  
M. Castella ◽  
P. Millie ◽  
F. Piuzzi ◽  
J. Caillet ◽  
J. Langlet ◽  
...  
Keyword(s):  
Potential Energy ◽  
Excited States ◽  
Potential Energy Surfaces ◽  
Van Der Waals ◽  
Molecular Complexes ◽  
Energy Surfaces

Chirality of weakly bound complexes: The potential energy surfaces for the hydrogen-peroxide−noble-gas interactions

2014 ◽  
Vol 141 (13) ◽  
pp. 134309 ◽  
Author(s):  
L. F. Roncaratti ◽  
L. A. Leal ◽  
F. Pirani ◽  
V. Aquilanti ◽  
G. M. e Silva ◽  
...  
Keyword(s):  
Hydrogen Peroxide ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Noble Gas ◽  
Weakly Bound ◽  
Weakly Bound Complexes ◽  
Gas Interactions ◽  
Energy Surfaces

scholarly journals Active learning of potential-energy surfaces of weakly bound complexes with regression-tree ensembles

2021 ◽  
Vol 155 (14) ◽  
pp. 144109
Author(s):  
Yahya Saleh ◽  
Vishnu Sanjay ◽  
Armin Iske ◽  
Andrey Yachmenev ◽  
Jochen Küpper
Keyword(s):  
Active Learning ◽  
Potential Energy ◽  
Potential Energy Surfaces ◽  
Regression Tree ◽  
Weakly Bound ◽  
Weakly Bound Complexes ◽  
Energy Surfaces
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