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Chemicals, plastics and rubber industries

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A short-time quantum mechanical expansion approach to vibrational relaxation

Article Abstract:

A study was conducted to investigate the possibility of calculating the quantum mechanical vibrational relaxation rate from a quantum Taylor expansion of the force-force correlation function. The relaxation rate was formulated within the lowest order perturbation theory combined with the Kubo transform of the force-force correlation function.

Author: Rabani, Eran, Stenger, Jens, Hochstrasser, Robin M., Reichman, David R.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
Usage, Quantum theory, Quantum mechanics, Intermolecular forces, Monte Carlo method, Monte Carlo methods

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Diffusion and the mesoscopic hydrodynamics of supercooled liquids

Article Abstract:

The mosaic picture of the supercooled liquids based on the random first-order transition theory was examined. The unusual decoupling of translational diffusion from the macroscopic hydrodynamics of glass-forming liquids is observed.

Author: Stenger, Jens, Hochstrasser, Robin M., Xiaoyu Xia, Wolynes, Peter G.
Publisher: American Chemical Society
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2001
Supercooled liquids, Domain structure, Hydrodynamics, Chemical properties

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