scholarly journals Path integral Monte Carlo methods: Static- and time-correlation functions

1986 ◽  
Vol 43 (5-6) ◽  
pp. 911-929 ◽  
Author(s):  
Bruce J. Berne
Keyword(s):  
Monte Carlo ◽  
Path Integral ◽  
Monte Carlo Methods ◽  
Correlation Functions ◽  
Time Correlation ◽  
Time Correlation Functions ◽  
Path Integral Monte Carlo

scholarly journals Fully quantum calculation of the second and third virial coefficients of water and its isotopologues from ab initio potentials

2018 ◽  
Vol 212 ◽  
pp. 467-497 ◽  
Author(s):  
Giovanni Garberoglio ◽  
Piotr Jankowski ◽  
Krzysztof Szalewicz ◽  
Allan H. Harvey
Keyword(s):  
Monte Carlo ◽  
Heavy Water ◽  
Path Integral ◽  
Monte Carlo Methods ◽  
Virial Coefficients ◽  
Quantum Calculation ◽  
Path Integral Monte Carlo ◽  
The Third ◽  
Ab Initio Potentials ◽  
State Of Art

Path-Integral Monte Carlo methods were applied to calculate the second, B(T), and the third, C(T), virial coefficients for water and heavy water from state-of-art flexible potentials.

Sign in / Sign up

Export Citation Format

Share Document