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List of works by Daniel Mejía-Rodríguez

Analytic second derivatives from auxiliary density perturbation theory.

scientific article published in December 2016

Basis Set Selection for Molecular Core-Level <i>GW</i> Calculations

scientific article published on 11 July 2022

Comment on "Regularized SCAN functional" [J. Chem. Phys. 150, 161101 (2019)]

scientific article published on 01 November 2019

Influence of spin multiplicity on the melting of Na55(+)

scientific article published on 11 November 2015

Multicomponent density functional theory with density fitting

scientific article published on 01 May 2019

NWChem: Past, present, and future

scientific article published on 01 May 2020

QM/MM calculations with deMon2k.

scientific article published on 16 March 2015

Range-Separated Hybrid Functionals with Variational Fitted Exact Exchange

article

Robust and Efficient Auxiliary Density Perturbation Theory Calculations

scientific article published in April 2015

Robust and efficient variational fitting of Fock exchange.

scientific article published in September 2014

Scalable Molecular GW Calculations: Valence and Core Spectra

scientific article published on 02 December 2021

Spin-Crossover from a Well-Behaved, Low-Cost meta-GGA Density Functional

scientific article published on 11 November 2020

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