Publicaciones en colaboración con investigadores/as de Max Planck Institute for Chemical Physics of Solids (8)

2022

  1. Localization and Delocalization in Solids from Electron Distribution Functions

    Journal of Chemical Theory and Computation, Vol. 18, Núm. 7, pp. 4245-4254

2021

  1. Interacting Quantum Atoms Method for Crystalline Solids

    Journal of Physical Chemistry A, Vol. 125, Núm. 40, pp. 9011-9025

2019

  1. The crystal structure of visible light absorbing piezoelectric semiconductor SrNb2V2O11 revisited: High-resolution X-ray diffraction, vibrational spectroscopy and computational study

    Journal of Materials Chemistry C, Vol. 7, Núm. 18, pp. 5497-5505

2017

  1. Electron sharing and localization in real space for the Mott transition from 1RDMFT periodic calculations

    Theoretical Chemistry Accounts, Vol. 136, Núm. 9

2016

  1. Decay rate of correlated real-space delocalization measures: Insights into chemical bonding and mott transitions from hydrogen chains

    Journal of Chemical Theory and Computation, Vol. 12, Núm. 7, pp. 3053-3062

2015

  1. Efficient algorithms for Hirshfeld-I charges

    Journal of Chemical Physics, Vol. 143, Núm. 8

2012

  1. Beyond standard charge density topological analyses

    Modern Charge-Density Analysis (Springer Netherlands), pp. 303-358

  2. Synthesis and structural relationship of complex tantalum phosphates in the flux system K2O-P2O5-Ta2O 5-MoO3

    International Conference on Oxide Materials for Electronic Engineering, OMEE 2012