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List of works by Iris Theophilou

Approximations based on density-matrix embedding theory for density-functional theories

scientific article published in 2021

Charge transfer excitations from excited state Hartree-Fock subsequent minimization scheme ⬇️

scientific article published on 01 April 2014

Conditions for Describing Triplet States in Reduced Density Matrix Functional Theory. ⬇️

scientific article

Double excitations from modified Hartree Fock subsequent minimization scheme.

scientific article

Force balance approach for advanced approximations in density functional theories

scientific article published on 01 October 2019

Generalized Pauli constraints in reduced density matrix functional theory ⬇️

scientific article

Kinetic-Energy Density-Functional Theory on a Lattice.

scientific article published on 19 July 2018

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

scientific article published on 01 March 2020

Orbitals from local RDMFT: Are they Kohn-Sham or natural orbitals? ⬇️

scientific article published on August 2015

Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems ⬇️

scientific article

Reduced Density-Matrix Approach to Strong Matter-Photon Interaction

scientific article published on 05 September 2019

Self-Consistent Density-Functional Embedding: A Novel Approach for Density-Functional Approximations

scientific article published on 20 September 2019

Structure of the first order reduced density matrix in three electron systems: A generalized Pauli constraints assisted study.

scientific article published in March 2018

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