The OH vibrational spectrum of liquid water from combined ab initio and Monte Carlo calculations

1991 ◽  
Vol 95 (10) ◽  
pp. 7486-7496 ◽  
Author(s):  
Kersti Hermansson ◽  
Sören Knuts ◽  
Jan Lindgren
Keyword(s):  
Monte Carlo ◽  
Vibrational Spectrum ◽  
Ab Initio ◽  
Liquid Water ◽  
Monte Carlo Calculations

Erratum: Radiolysis of liquid water: An attempt to reconcile Monte-Carlo calculations with new experimental hydrated electron yield data at early times

2002 ◽  
Vol 80 (12) ◽  
pp. 1716
Author(s):  
Yusa Muroya ◽  
Jintana Meesungnoen ◽  
Jean-Paul Jay-Gerin ◽  
Abdelali Filali-Mouhim ◽  
Thomas Goulet ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Liquid Water ◽  
Hydrated Electron ◽  
Yield Data ◽  
Monte Carlo Calculations ◽  
Electron Yield

scholarly journals Ab initio molecular dynamics simulation of liquid water by quantum Monte Carlo

2015 ◽  
Vol 142 (14) ◽  
pp. 144111 ◽  
Author(s):  
Andrea Zen ◽  
Ye Luo ◽  
Guglielmo Mazzola ◽  
Leonardo Guidoni ◽  
Sandro Sorella
Keyword(s):  
Molecular Dynamics ◽  
Monte Carlo ◽  
Molecular Dynamics Simulation ◽  
Ab Initio ◽  
Liquid Water ◽  
Quantum Monte Carlo ◽  
Dynamics Simulation ◽  
Ab Initio Molecular Dynamics
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