List of works - Piotr De Silva

Application of explicitly localized molecular orbitals to electronic structure calculations

scientific article published on 01 January 2012

Atomic shell structure from the Single-Exponential Decay Detector

scientific article published in April 2014

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

scientific article published on 01 September 2015

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

scientific article published on 10 November 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)

scientific article published on 01 January 2013

Fast orbital localization scheme in molecular fragments resolution ⬇️

scientific article published on November 25, 2011

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

scientific article published on 06 January 2021

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

scientific article published on 01 February 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

scientific article published on 05 March 2018

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

scientific article published on 24 July 2012

Self-Attractive Hartree Decomposition: Partitioning Electron Density into Smooth Localized Fragments.

scientific article published on 11 December 2017

Simultaneous Visualization of Covalent and Noncovalent Interactions Using Regions of Density Overlap.

scientific article published on 30 June 2014

Thermally Activated Delayed Fluorescent Donor-Acceptor-Donor-Acceptor π-Conjugated Macrocycle for Organic Light-Emitting Diodes

scientific article published on 10 January 2020

Unexpectedly Large Couplings Between Orthogonal Units in Anthraquinone Polymers

scientific article published on 24 October 2019

Unified Framework for Photophysical Rate Calculations in TADF Molecules

scientific article published on 12 August 2021

List of works by Piotr De Silva