Lista de obras -

Application of explicitly localized molecular orbitals to electronic structure calculations

artículo científico publicado en 2012

Atomic shell structure from the Single-Exponential Decay Detector

artículo científico publicado en 2014

Communication: A new class of non-empirical explicit density functionals on the third rung of Jacob's ladder

artículo científico publicado en 2015

Energy partitioning scheme based on self-consistent method for subsystems: populational space approach

artículo científico publicado en 2010

Exact non-additive kinetic potentials in realistic chemical systems

scientific article published on 01 September 2012

Extracting information about chemical bonding from molecular electron densities via single exponential decay detector (SEDD)

artículo científico publicado en 2013

Fast orbital localization scheme in molecular fragments resolution ⬇️

artículo científico publicado el 25 de noviembre de 2011

Heavy-Atom-Free Room-Temperature Phosphorescent Organic Light-Emitting Diodes Enabled by Excited States Engineering

artículo científico publicado en 2021

Implementation of the Many-Pair Expansion for Systematically Improving Density Functional Calculations of Molecules

artículo científico publicado en 2019

Inverted Singlet-Triplet Gaps and Their Relevance to Thermally Activated Delayed Fluorescence

scientific article published on 10 September 2019

Local hybrid functionals with orbital-free mixing functions and balanced elimination of self-interaction error

scientific article published on 01 February 2015

QM/MM Study of Static and Dynamic Energetic Disorder in the Emission Layer of an Organic Light-Emitting Diode

artículo científico publicado en 2018

Revealing the bonding pattern from the molecular electron density using single exponential decay detector: an orbital-free alternative to the electron localization function