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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)

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|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 Co<sub>3</sub>O<sub>4</sub> 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

1 joint publications

Annette Trunschke

1 joint publications

Casey Van Stappen

1 joint publications

Joanna K Kowalska

1 joint publications

Josh Vura-Weis

1 joint publications

Róbert Izsák

1 joint publications

Bernardo De Souza

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

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