Dimitrios Maganas

15PUBLICATIONS
18CO-AUTHORS
Mathematical aspects of general relativityElectronic and magnetic properties of condensed matter; superconductivityComputational chemistryCondensed matter modelling and density functional theoryIntegrable systems (classical and quantum)
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Publications (15)

|Sep 30, 2025
General Spin Restricted Open-Shell Configuration Interaction Singles (GS-ROCIS): Implementation of Spin-Orbit Coupling and Zeeman Operators for Calculation of Optical and X-ray Absorption and Magnetic Circular Dichroism Spectra of Magnetically Coupled Transition Metal Systems.

Tiago Leyser da Costa Gouveia, Lucas Lang, Dimitrios Maganas

|Jul 31, 2025
Revisiting the band gap problem in bulk Co3O4 and its isostructural Zn and Al derivatives through the lens of theoretical spectroscopy.

Anneke Dittmer, Tiago Leyser da Costa Gouveia, Kantharuban Sivalingam

|Dec 19, 2024
Extended Active Space Ab Initio Ligand Field Theory: Applications to Transition-Metal Ions.

Shashank V Rao, Dimitrios Maganas, Kantharuban Sivalingam

|Dec 16, 2024
General Spin-Restricted Open-Shell Configuration Interaction Approach: Application to Metal K-Edge X-ray Absorption Spectra of Ferro- and Antiferromagnetically Coupled Dimers.

Tiago Leyser da Costa Gouveia, Dimitrios Maganas, Frank Neese

|Jun 17, 2024
Restricted Open-Shell Hartree-Fock Method for a General Configuration State Function Featuring Arbitrarily Complex Spin-Couplings.

Tiago Leyser da Costa Gouveia, Dimitrios Maganas, Frank Neese

|Aug 22, 2023
Theoretical spectroscopy for unraveling the intensity mechanism of the optical and photoluminescent spectra of chiral Re(I) transition metal complexes.

Rami Shafei, Ai Hamano, Christophe Gourlaouen

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Frequent Collaborators

9 joint publications

Frank Neese

5 joint publications

Serena DeBeer

3 joint publications

Tiago Leyser da Costa Gouveia

2 joint publications

Nicolás O Foglia