Zero-point energy problem in molecular dynamics calculations, and an improved method for sampling trajectories

1995 ◽  
Vol 91 (21) ◽  
pp. 3747 ◽  
Author(s):  
DeLin Shen ◽  
Wai-To Chan ◽  
Huw O. Pritchard
Keyword(s):  
Molecular Dynamics ◽  
Zero Point ◽  
Energy Problem ◽  
Improved Method ◽  
Zero Point Energy ◽  
Point Energy ◽  
Molecular Dynamics Calculations

scholarly journals Zero-Point Energy Leakage in Quantum Thermal Bath Molecular Dynamics Simulations

2016 ◽  
Vol 12 (12) ◽  
pp. 5688-5697 ◽  
Author(s):  
Fabien Brieuc ◽  
Yael Bronstein ◽  
Hichem Dammak ◽  
Philippe Depondt ◽  
Fabio Finocchi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulations ◽  
Zero Point ◽  
Thermal Bath ◽  
Zero Point Energy ◽  
Point Energy ◽  
Energy Leakage ◽  
Dynamics Simulations

Analysis of the zero‐point energy problem in classical trajectory simulations

1996 ◽  
Vol 104 (2) ◽  
pp. 576-582 ◽  
Author(s):  
Yin Guo ◽  
Donald L. Thompson ◽  
Thomas D. Sewell
Keyword(s):  
Zero Point ◽  
Classical Trajectory ◽  
Energy Problem ◽  
Zero Point Energy ◽  
Point Energy ◽  
Trajectory Simulations
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