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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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Calculation of vibrational frequencies through a variational reduced-coupling approach

Yohann Scribano1, David M Benoit

  • 1Nachwuchsgruppe Theorie-SFB 569, Albert-Einstein-Allee 11, University of Ulm, D-89081 Ulm, Germany. yohann.scribano@uni-ulm.de

The Journal of Chemical Physics
|November 6, 2007
PubMed

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