Quantum–classical approach to the reaction dynamics in a superfluid helium nanodroplet. The Ne2 dimer and Ne–Ne adduct formation reaction Ne + Ne-doped nanodroplet

2019 ◽  
Vol 21 (43) ◽  
pp. 24218-24231 ◽  
Author(s):  
Miquel Blancafort-Jorquera ◽  
Arnau Vilà ◽  
Miguel González

The Ne + Ne@(4He)N reaction dynamics was studied using a quantum–classical approach. The angular momentum plays a critical role: the Ne–Ne adduct formation dominates the reactivity (instead of the Ne2 dimer) and quantized vortices are produced.

2008 ◽  
Vol 77 (1) ◽  
Author(s):  
Demosthenes Kivotides ◽  
Carlo F. Barenghi ◽  
Yuri A. Sergeev

2016 ◽  
Vol 18 (46) ◽  
pp. 31869-31880 ◽  
Author(s):  
Arnau Vilà ◽  
Miguel González

A hybrid TDDFT approach was proposed to consider bimolecular reactive processes in superfluid helium nanodroplets. The Ne + Ne@(4He)N reaction was considered as the first application example. The formation of Ne2 is a complex process related to the nature of the helium density waves and their reflection from the nanodroplet surface.


2013 ◽  
pp. 156-252 ◽  
Author(s):  
Makoto Tsubota ◽  
Kenichi Kasamatsu ◽  
Michikazu Kobayashi

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