Maristella Alessio

8PUBLICATIONS
16CO-AUTHORS
Theoretical quantum chemistryCondensed matter modelling and density functional theoryNonlinear optics and spectroscopyEnergy generation, conversion and storage (excl. chemical and electrical)Statistical mechanics, physical combinatorics and mathematical aspects of condensed matter
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Publications (8)

|Nov 14, 2025
Benchmarking the GW Approximation against Coupled-Cluster Theory for 3d Transition Metals.

Laura Galleni, Stef Eversdijk, Daniel Escudero

|Jul 08, 2025
Quantum-embedded equation-of-motion coupled-cluster approach to single-atom magnets on surfaces.

Maristella Alessio, Tobias Schäfer, Thomas-C Jagau

|Jun 05, 2024
Coupled-cluster treatment of complex open-shell systems: the case of single-molecule magnets.

Maristella Alessio, Garrette Pauley Paran, Cansu Utku

|Feb 07, 2024
Signatures of s-wave scattering in bound electronic states.

Robin E Moorby, Valentina Parravicini, Maristella Alessio

|Mar 06, 2023
Influence of Transition Metal Electron Configuration on the Structure of Metal-EDTA Complexes.

Madison M Foreman, Maristella Alessio, Anna I Krylov

|Jun 14, 2022
Magnetic exchange interactions in binuclear and tetranuclear iron(III) complexes described by spin-flip DFT and Heisenberg effective Hamiltonians.

Saikiran Kotaru, Sven Kähler, Maristella Alessio

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Frequent Collaborators

4 joint publications

Thomas-C Jagau

3 joint publications

Anna I Krylov

1 joint publications

Florian R Rehak

1 joint publications

GiovanniMaria Piccini