scholarly journals Modeling quantum nuclei with perturbed path integral molecular dynamics

2016 ◽  
Vol 7 (2) ◽  
pp. 1368-1372 ◽  
Author(s):  
Igor Poltavsky ◽  
Alexandre Tkatchenko

Here we combine perturbation theory with the Feynman–Kac imaginary-time path integral approach to quantum mechanics for modeling quantum nuclear effects.

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