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Ab Initio Path Integral Molecular Dynamics

This folder holds the following references to publications, sorted by year and author.

There are 3 references in this bibliography folder.


Sala, FD, Rousseau, R, G�rling, A, and Marx, D (2004).
Quantum and Thermal Fluctuation Effects on the Photoabsorption Spectra of Clusters
Physical Review Letters, 92(18):183401.


Marx, D, Tuckerman, ME, and Martyna, GJ (1999).
Quantum dynamics via adiabatic ab initio centroid molecular dynamics
Computer Physics Communications, 118(2-3):166–184.


Marx, D and Parrinello, M (1996).
Ab initio path integral molecular dynamics: Basic ideas
The Journal of Chemical Physics, 104(11):4077-4082.

 
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