Publicaciones en colaboración con investigadoras/es de University of California, Berkeley (6)

2021

  1. Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

    Journal of Chemical Physics, Vol. 155, Núm. 8

2017

  1. Comprehensive benchmarking of density matrix functional approximations

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 35, pp. 24029-24041

  2. Electron correlation effects in third-order densities

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 6, pp. 4522-4529

  3. Local Descriptors of Dynamic and Nondynamic Correlation

    Journal of Chemical Theory and Computation, Vol. 13, Núm. 6, pp. 2705-2711

2016

  1. Separation of dynamic and nondynamic correlation

    Physical Chemistry Chemical Physics, Vol. 18, Núm. 34, pp. 24015-24023

2011

  1. Charge-transfer and the hydrogen bond: Spectroscopic and structural implications from electronic structure calculations

    Faraday Discussions, Vol. 150, pp. 345-362