scholarly journals Ab initio Path Integral Monte Carlo Results for the Dynamic Structure Factor of Correlated Electrons: From the Electron Liquid to Warm Dense Matter

2018 ◽  
Vol 121 (25) ◽  
Author(s):  
T. Dornheim ◽  
S. Groth ◽  
J. Vorberger ◽  
M. Bonitz
Keyword(s):  
Monte Carlo ◽  
Ab Initio ◽  
Path Integral ◽  
Structure Factor ◽  
Dense Matter ◽  
Dynamic Structure ◽  
Dynamic Structure Factor ◽  
Correlated Electrons ◽  
Warm Dense Matter ◽  
Path Integral Monte Carlo

Constructing accurate interaction potentials to describe the microsolvation of protonated methane by helium atoms

2017 ◽  
Vol 19 (12) ◽  
pp. 8307-8321 ◽  
Author(s):  
Dennis Kuchenbecker ◽  
Felix Uhl ◽  
Harald Forbert ◽  
Georg Jansen ◽  
Dominik Marx
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Path Integral ◽  
Interaction Potential ◽  
Stationary Point ◽  
Path Integral Monte Carlo ◽  
Interaction Potentials ◽  
Helium Atoms

An ab initio-derived interaction potential is derived and used in path integral Monte Carlo simulations to investigate stationary-point structures of CH5+ microsolvated by up to four helium atoms.

scholarly journals Dynamic properties of the warm dense electron gas based on ab initio path integral Monte Carlo simulations

2020 ◽  
Vol 102 (12) ◽  
Author(s):  
Paul Hamann ◽  
Tobias Dornheim ◽  
Jan Vorberger ◽  
Zhandos A. Moldabekov ◽  
Michael Bonitz
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Path Integral ◽  
Dynamic Properties ◽  
Electron Gas ◽  
Path Integral Monte Carlo

Ab initio path integral Monte Carlo simulations for water trimer with electron correlation effects

2012 ◽  
Vol 997 ◽  
pp. 7-13 ◽  
Author(s):  
Takatoshi Fujita ◽  
Shigenori Tanaka ◽  
Takayuki Fujiwara ◽  
Masa-Aki Kusa ◽  
Yuji Mochizuki ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Ab Initio ◽  
Path Integral ◽  
Electron Correlation ◽  
Correlation Effects ◽  
Path Integral Monte Carlo ◽  
Water Trimer ◽  
Electron Correlation Effects
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