What is she best known for?
The fields of study she is best known for:
- Organic chemistry
- Quantum mechanics
- Ion
Computational chemistry, Atomic physics, Electronic structure, Perturbation theory and Wave function are her primary areas of study.
She has researched Computational chemistry in several fields, including Binding energy, Ab initio and Ab initio quantum chemistry methods.
She combines subjects such as STO-nG basis sets, Complete active space, Molecular orbital and Excitation with her study of Atomic physics.
Her study in Electronic structure is interdisciplinary in nature, drawing from both Relativistic quantum chemistry, Molecule, Atomic orbital and Copper protein.
Her Perturbation theory study integrates concerns from other disciplines, such as Active site, Spectroscopy and Analytical chemistry.
Her Wave function research incorporates elements of Field, Molecular physics and Basis.
Her most cited work include:
- Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions (591 citations)
- Density matrix averaged atomic natural orbital (ANO) basis sets for correlated molecular wave functions: IV. Medium size basis sets for the atoms H-Kr (354 citations)
- The restricted active space followed by second-order perturbation theory method : Theory and application to the study of CUO2 and CU2O2 systems (297 citations)
What are the main themes of her work throughout her whole career to date?
Kristine Pierloot mostly deals with Computational chemistry, Ab initio, Crystallography, Density functional theory and Electronic structure.
The concepts of her Computational chemistry study are interwoven with issues in Chemical physics, Molecule, Ab initio quantum chemistry methods, Transition metal and Thermodynamics.
Her research in Crystallography intersects with topics in Spectral line, Copper, Copper protein and Ligand.
Her Density functional theory study combines topics in areas such as Perturbation theory, Inorganic chemistry, Dissociation, Physical chemistry and Binding energy.
Her Electronic structure study incorporates themes from Molecular physics, Ligand field theory, Complete active space and Atomic physics.
Her Atomic physics research is multidisciplinary, incorporating perspectives in Excitation, Molecular orbital and Atomic orbital.
She most often published in these fields:
- Computational chemistry (27.91%)
- Ab initio (23.26%)
- Crystallography (22.67%)
What were the highlights of her more recent work (between 2015-2020)?
- Crystallography (22.67%)
- Density matrix renormalization group (4.65%)
- Electronic structure (20.35%)
In recent papers she was focusing on the following fields of study:
Her primary areas of study are Crystallography, Density matrix renormalization group, Electronic structure, Spin states and Density functional theory.
Her research integrates issues of Excited state, Perturbation theory, Wave function and Ground state in her study of Density matrix renormalization group.
Her Perturbation theory research includes themes of Chemical physics and Molecular physics.
Her studies in Electronic structure integrate themes in fields like Ab initio and Binding energy.
Her work in Binding energy covers topics such as Spectral line which are related to areas like Computational chemistry.
Her primary area of study in Density functional theory is in the field of Basis set.
Between 2015 and 2020, her most popular works were:
- The active site of low-temperature methane hydroxylation in iron-containing zeolites (142 citations)
- OpenMolcas : From Source Code to Insight (140 citations)
- Spin State Energetics in First-Row Transition Metal Complexes: Contribution of (3s3p) Correlation and Its Description by Second-Order Perturbation Theory. (52 citations)
In her most recent research, the most cited papers focused on:
- Organic chemistry
- Quantum mechanics
- Ion
Her primary areas of investigation include Transition metal, Spin states, Molecular physics, Density matrix renormalization group and Active site.
Her Transition metal research integrates issues from Crystallography and General chemistry.
The study incorporates disciplines such as Excited state, Chromium hexacarbonyl, Energetics and Complete active space in addition to Spin states.
Her Molecular physics study frequently links to related topics such as Perturbation theory.
She has included themes like Field and Wave function in her Density matrix renormalization group study.
Her Wave function research is multidisciplinary, relying on both Quantum chemistry, Electronic structure, Ab initio and Density functional theory.
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