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Multiscale Sampling of a Heterogeneous Water/Metal Catalyst Interface using Density Functional Theory and Force-Field Molecular Dynamics
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Challenging adiabatic time-dependent density functional theory with a Hubbard dimer: the case of time-resolved

Johanna I Fuks1, Neepa T Maitra

  • 1Department of Physics and Astronomy, Hunter College and the City University of New York, 695 Park Avenue, New York, New York 10065, USA. nmaitra@hunter.cuny.edu johannafuks@gmail.com.

Physical Chemistry Chemical Physics : PCCP
|March 20, 2014
PubMed

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