Response to “Comment on ‘A comparison of the efficiency of Fourier- and discrete time-path integral Monte Carlo’ ” [J. Chem. Phys.111, 7685 (1999)]

1999 ◽  
Vol 111 (16) ◽  
pp. 7687-7687 ◽  
Author(s):  
C. Chakravarty ◽  
M. C. Gordillo ◽  
D. M. Ceperley
Keyword(s):  
Monte Carlo ◽  
Discrete Time ◽  
Path Integral ◽  
Chem Phys ◽  
Path Integral Monte Carlo ◽  
Time Path

scholarly journals A comparison of the efficiency of Fourier- and discrete time-path integral Monte Carlo

1998 ◽  
Vol 109 (6) ◽  
pp. 2123-2134 ◽  
Author(s):  
C. Chakravarty ◽  
M. C. Gordillo ◽  
D. M. Ceperley
Keyword(s):  
Monte Carlo ◽  
Discrete Time ◽  
Path Integral ◽  
Path Integral Monte Carlo ◽  
Time Path

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.

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