A comparative study of imaginary time path integral based methods for quantum dynamics

2006 ◽  
Vol 124 (15) ◽  
pp. 154103 ◽  
Author(s):  
Tyler D. Hone ◽  
Peter J. Rossky ◽  
Gregory A. Voth
Keyword(s):  
Comparative Study ◽  
Path Integral ◽  
Quantum Dynamics ◽  
Imaginary Time ◽  
Time Path

Aharonov-Anandan phase and the imaginary-time path integral

1993 ◽  
Vol 48 (15) ◽  
pp. 11401-11403
Author(s):  
Tie-Zheng Qian ◽  
Xiao-Chun Gao ◽  
Jing-Bo Xu
Keyword(s):  
Path Integral ◽  
Imaginary Time ◽  
Time Path

scholarly journals Path-integral approximations to quantum dynamics

2021 ◽  
Vol 94 (7) ◽  
Author(s):  
Stuart C. Althorpe
Keyword(s):  
Molecular Dynamics ◽  
Correlation Function ◽  
Path Integral ◽  
Quantum Dynamics ◽  
Time Correlation ◽  
Time Correlation Function ◽  
Imaginary Time ◽  
Integral Methods ◽  
Ring Polymer ◽  
Recent Extension

Abstract Imaginary-time path-integral or ‘ring-polymer’ methods have been used to simulate quantum (Boltzmann) statistical properties since the 1980s. This article reviews the more recent extension of such methods to simulate quantum dynamics, summarising the chain of approximations that links practical path-integral methods, such as centroid molecular dynamics (CMD) and ring-polymer molecular dynamics (RPMD), to the exact quantum Kubo time-correlation function. We focus on single-surface Born–Oppenheimer dynamics, using the infrared spectrum of water as an illustrative example, but also survey other recent applications and practical techniques, as well as the limitations of current methods and their scope for future development. Graphic abstract

scholarly journals Modeling quantum nuclei with perturbed path integral molecular dynamics

2016 ◽  
Vol 7 (2) ◽  
pp. 1368-1372 ◽  
Author(s):  
Igor Poltavsky ◽  
Alexandre Tkatchenko
Keyword(s):  
Molecular Dynamics ◽  
Perturbation Theory ◽  
Quantum Mechanics ◽  
Path Integral ◽  
Integral Approach ◽  
Imaginary Time ◽  
Path Integral Approach ◽  
Time Path ◽  
Nuclear Effects

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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