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physics.chem-ph2018★ 23 cited
Ground states of linear rotor chains via the density matrix renormalization group
Dmitri Iouchtchenko, Pierre-Nicholas Roy
In recent years, experimental techniques have enabled the creation of endofullerene peapod nanomolecular assemblies. It was previously suggested that the rotor model resulting from…
physics.chem-ph2018★ 3 cited
A path integral methodology for obtaining thermodynamic properties of nonadiabatic systems using Gaussian mixture distributions
Neil Raymond, Dmitri Iouchtchenko, Pierre-Nicholas Roy +1
We introduce a new path integral Monte Carlo method for investigating nonadiabatic systems in thermal equilibrium and demonstrate an approach to reducing stochastic error. We deriv…