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List of works by Grégoire David

Analyzing Magnetically Induced Currents in Molecular Systems Using Current-Density-Functional Theory

scientific article published on 10 February 2020

Chemical Tuning of Magnetic Exchange Couplings Using Broken-Symmetry Density Functional Theory

scientific article published on 26 September 2018

Consistent spin decontamination of broken-symmetry calculations of diradicals

scientific article published on 01 November 2020

Improved evaluation of spin-polarization energy contributions using broken-symmetry calculations

scientific article published on 01 August 2020

Qualitative Views on the Polyradical Character of Long Acenes

scientific article published on 17 August 2018

Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs

scientific article published on 29 May 2019

Scrutinizing "Invisible" astatine: A challenge for modern density functionals.

scientific article published on 5 April 2016

Self-Consistent Field Methods for Excited States in Strong Magnetic Fields: a Comparison between Energy- and Variance-Based Approaches

scientific article published on 17 August 2021

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