Search filters

List of works by Fabien Tran

Comparative study of the PBE and SCAN functionals: The particular case of alkali metals

scientific article published on 01 April 2019

Correct and Accurate Polymorphic Energy Ordering of Transition-Metal Monoxides Obtained from Semilocal and Onsite-Hybrid Exchange-Correlation Approximations

scientific article published in 2022

Efficient and improved prediction of the band offsets at semiconductorheterojunctions from meta-GGA density functionals: a benchmark study

scientific article published in 2022

Nonlocal van der Waals functionals: The case of rare-gas dimers and solids ⬇️

scientific article published on May 28, 2013

On the accuracy of the non-self-consistent calculation of the electronic structure of solids with hybrid functionals ⬇️

scientific article published on January 30, 2012

On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy

scientific article published on 01 October 2019

Orbital-free approximations to the kinetic-energy density in exchange-correlation MGGA functionals: Tests on solids

scientific article published on 01 October 2018

Publisher's Note: "On the calculation of the bandgap of periodic solids with MGGA functionals using the total energy" [J. Chem. Phys. 151, 161102 (2019)]

scientific article published on 01 December 2019

Similarity Clustering for Representative Sets of Inorganic Solids for Density Functional Testing

scientific article published on 17 December 2021

WIEN2k: An APW+lo program for calculating the properties of solids

scientific article published on 01 February 2020

Paulina is supported by:

About Paulina

Help