Fabien Pascale

15PUBLICATIONS
20CO-AUTHORS
Atomic and molecular physicsTheoretical quantum chemistryDegenerate quantum gases and atom opticsIntegrable systems (classical and quantum)Main group metal chemistry
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Publications (15)

|May 14, 2024
orbital ordering patterns in KBF (B = Sc, Ti, Fe, Co) perovskites.

Fabien Pascale, Philippe D'Arco, Sami Mustapha

|Jan 17, 2024
The energies and charge and spin distributions in the low-lying levels of singlet and triplet N2V defects in diamond from direct variational calculations of the excited states.

William C Mackrodt, Alexander Platonenko, Fabien Pascale

|Jan 13, 2024
Jahn-Teller distortion, octahedra rotations and orbital ordering in perovskites: KScF as a model system.

F Pascale, P D'Arco, S Lebègue

|Dec 14, 2023
Band gap, Jahn-Teller deformation, octahedra rotation in transition metal perovskites LaTiO .

F Pascale, S Gueddida, K Doll

|Apr 26, 2023
The role of the A monovalent cation in the AVF3 perovskite series. A quantum mechanical investigation.

Fabien Pascale, Neveen I Atallah, Khaled E El-Kelany

|Mar 08, 2023
First-principles study of the structural and electronic properties of tetragonal ZrOX (X = S, Se, and Te) monolayers and their vdW heterostructures for applications in optoelectronics and photocatalysis.

Imen Said, Saber Gueddida, Mohamed Barhoumi

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Frequent Collaborators

7 joint publications

Roberto Dovesi

4 joint publications

Alexander Platonenko

4 joint publications

Philippe D'Arco

3 joint publications

Francesco Silvio Gentile