What is he best known for?
The fields of study he is best known for:
- Quantum mechanics
- Electron
- Molecule
His main research concerns Atomic physics, Quantum mechanics, Hamiltonian, Configuration interaction and Computational chemistry.
Polarizability and Excitation is closely connected to Ionization in his research, which is encompassed under the umbrella topic of Atomic physics.
His work in the fields of Quantum mechanics, such as Wave function, Potential energy, n-electron valence state perturbation theory and Complete active space, overlaps with other areas such as Basis.
The Hamiltonian study combines topics in areas such as Adiabatic process, Electronic structure, Binding energy and Molecular orbital.
His studies in Configuration interaction integrate themes in fields like Space, Ab initio quantum chemistry methods, Inductive coupling and Localized molecular orbitals.
Jean-Paul Malrieu has included themes like Chemical physics, Electronic correlation, Heisenberg model and Multiple bonds in his Computational chemistry study.
His most cited work include:
- Introduction of n-electron valence states for multireference perturbation theory (823 citations)
- n-electron valence state perturbation theory: A spinless formulation and an efficient implementation of the strongly contracted and of the partially contracted variants (564 citations)
- N-electron valence state perturbation theory: a fast implementation of the strongly contracted variant (406 citations)
What are the main themes of his work throughout his whole career to date?
The scientist’s investigation covers issues in Quantum mechanics, Atomic physics, Hamiltonian, Configuration interaction and Computational chemistry.
His Atomic physics study combines topics in areas such as Valence, Delocalized electron and Atomic orbital.
His studies deal with areas such as Ab initio, Electron, Condensed matter physics and Heisenberg model as well as Hamiltonian.
His study in Configuration interaction is interdisciplinary in nature, drawing from both Matrix, Eigenvalues and eigenvectors, Series and Degenerate energy levels.
His Computational chemistry study combines topics from a wide range of disciplines, such as Chemical physics, Molecular physics, Electronic correlation and Diatomic molecule.
His Wave function research is multidisciplinary, incorporating elements of Perturbation theory and Valence bond theory.
He most often published in these fields:
- Quantum mechanics (33.96%)
- Atomic physics (25.75%)
- Hamiltonian (24.63%)
What were the highlights of his more recent work (between 2008-2020)?
- Quantum mechanics (33.96%)
- Condensed matter physics (14.55%)
- Spin polarization (4.48%)
In recent papers he was focusing on the following fields of study:
Jean-Paul Malrieu focuses on Quantum mechanics, Condensed matter physics, Spin polarization, Configuration interaction and Computational chemistry.
His Atomic physics research extends to the thematically linked field of Quantum mechanics.
His Atomic physics research integrates issues from Molecule, Charge, Delocalized electron and Valence bond theory.
His Condensed matter physics research incorporates elements of Symmetry breaking and Density functional theory.
His work deals with themes such as Electronic correlation, Parallelizable manifold, Complete active space and Inductive coupling, which intersect with Configuration interaction.
His Computational chemistry research incorporates themes from Chemical physics, Molecular physics, Multiplicity and Aromaticity.
Between 2008 and 2020, his most popular works were:
- Magnetic interactions in molecules and highly correlated materials: physical content, analytical derivation, and rigorous extraction of magnetic Hamiltonians. (218 citations)
- Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited (88 citations)
- A recipe for geometry optimization of diradicalar singlet states from broken-symmetry calculations. (51 citations)
In his most recent research, the most cited papers focused on:
- Quantum mechanics
- Electron
- Molecule
His primary areas of investigation include Quantum mechanics, Computational chemistry, Ferromagnetism, Condensed matter physics and Molecular physics.
His research on Quantum mechanics frequently connects to adjacent areas such as Atomic physics.
Jean-Paul Malrieu has researched Computational chemistry in several fields, including Content, Molecule and Chemical physics.
He works mostly in the field of Condensed matter physics, limiting it down to concerns involving Density functional theory and, occasionally, Symmetry breaking, State, Energy and Singlet state.
The concepts of his Molecular physics study are interwoven with issues in Unpaired electron, Fermi energy and Ground state.
In his work, Multireference configuration interaction, Configuration interaction and Inductive coupling is strongly intertwined with Atomic orbital, which is a subfield of Unpaired electron.
This overview was generated by a machine learning system which analysed the scientist’s
body of work. If you have any feedback, you can
contact us
here.
