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Analyzing Melts and Fluids from Ab Initio Molecular Dynamics Simulations with the UMD Package
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VIBPACK: A package to treat multidimensional electron-vibrational molecular problems with application to magnetic and

Juan M Clemente-Juan1, Andrew Palii2,3, Boris Tsukerblat4

  • 1Instituto de Ciencia Molecular, Universidad de Valencia, C/ Catedrático José Beltrán, 2, Paterna, 46980, Spain.

Journal of Computational Chemistry
|August 25, 2018
PubMed

Keywords:
dynamic Jahn-Teller effectintervalence absorptionmixed valencymolecular magnetismsymmetryvibronic coupling

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