Saad Yalouz

9PUBLICATIONS
13CO-AUTHORS
Radiation and matterTransition metal chemistryElectronic and magnetic properties of condensed matter; superconductivityComputational modelling and simulation in earth sciencesTheoretical quantum chemistry
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Publications (9)

|Jun 22, 2026
Orthogonally constrained CASSCF framework: Newton-Raphson orbital optimization and nuclear gradients.

|Jun 12, 2025
Modulated Ligand-Ligand Exchange Coupling and Elusive Spinmerism in a Bis(verdazyl)iron(II) Complex.

Pablo Roseiro, Nadia Ben Amor, Ghenadie Novitchi

|Dec 23, 2024
Interplay between Spinmerism and Spin-Orbit Coupling for a d2 Metal Ion in an Open-Shell Ligand Field.

Pablo Roseiro, Ashini Shah, Saad Yalouz

|Sep 23, 2024
Fragment quantum embedding using the Householder transformation: A multi-state extension based on ensembles.

Filip Cernatic, Emmanuel Fromager, Saad Yalouz

|Mar 27, 2023
Modifications of Tanabe-Sugano d6 Diagram Induced by Radical Ligand Field: Ab Initio Inspection of a Fe(II)-Verdazyl Molecular Complex.

Pablo Roseiro, Saad Yalouz, David J R Brook

|Feb 15, 2023
Orthogonally Constrained Orbital Optimization: Assessing Changes of Optimal Orbitals for Orthogonal Multireference States.

Saad Yalouz, Vincent Robert

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Frequent Collaborators

3 joint publications

Pablo Roseiro

3 joint publications

Vincent Robert

2 joint publications

Emmanuel Fromager

1 joint publications

Benjamin Lasorne