Matthias Ernzerhof

Université du Québec à Montréal — Canada

Physics and Astronomy · Physical Sciences

36h-index259.8kcitations120works0.02yr avg
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Research Topics

Advanced Chemical Physics Studies(63), Molecular Junctions and Nanostructures(54), Spectroscopy and Quantum Chemical Studies(39), Quantum and electron transport phenomena(24), Organic Electronics and Photovoltaics(9)

Publications120 total

The uncharted space of non-Hermitian solutions to the Hartree–Fock and Kohn–Sham equations
The Journal of Chemical Physics·2025Open Access
A Tribute to Gustavo E. Scuseria
The Journal of Physical Chemistry A·2024
The electron-centric approach to the exchange-correlation energy
The Journal of Chemical Physics·2023· 4 citedOpen Access
Generating Exchange–Correlation Functionals with a Simplified, Self-Consistent Correlation Factor Model
The Journal of Physical Chemistry A·2023· 3 cited
The fourth-order expansion of the exchange hole and neural networks to construct exchange–correlation functionals
The Journal of Chemical Physics·2022· 3 citedOpen Access
The factorization ansatz for non-local approximations to the exchange–correlation hole
The Journal of Chemical Physics·2022· 1 cited
Constructing and representing exchange–correlation holes through artificial neural networks
The Journal of Chemical Physics·2021· 19 cited
Rhodium-Catalyzed Sulfimidation Reactions: A Computational Study
Organometallics·2021· 12 cited
Extending the source–sink potential method to include electron–nucleus coupling
The Journal of Chemical Physics·2021· 1 cited
Non-Hermitian quantum mechanics and exceptional points in molecular electronics
The Journal of Chemical Physics·2020· 14 citedOpen Access
The correlation factor approach: Combining density functional and wave function theory
The Journal of Chemical Physics·2020· 6 cited
Construction of self-interaction-corrected exchange-correlation functionals within the correlation factor approach
The Journal of Chemical Physics·2019· 8 cited
A Mechanistic Study of the Stereochemical Outcomes of Rhodium‐Catalysed Styrene Aziridinations
Advanced Synthesis & Catalysis·2019· 14 cited
The correlation factor model for the exchange-correlation energy and its application to transition metal compounds
The Journal of Chemical Physics·2019· 11 cited
Rhodium(<scp>ii</scp>)-catalyzed C–H aminations using <i>N</i>-mesyloxycarbamates: reaction pathway and by-product formation
Chemical Science·2018· 31 citedOpen Access
Surface Plasmon Polariton-Controlled Molecular Switch
The Journal of Physical Chemistry C·2018· 14 cited
Impact of offset energies on the yield of interfacial charge separation in molecular photocells
The Journal of Chemical Physics·2018· 6 cited
Surface Plasmon Polariton-Controlled Molecular Switch C
The Journal of Physical Chemistry·2018
Fourth-order series expansion of the exchange hole
Physical review. A/Physical review, A·2017· 6 cited
The impact of long-range electron-hole interaction on the charge separation yield of molecular photocells
The Journal of Chemical Physics·2017· 14 cited
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Frequent Co-authors

John P. Perdew(15), Kieron Burke(15), Gustavo E. Scuseria(8), Min Zhuang(6), Hilke Bahmann(6), Yongxi Zhou(5), Jochen Heyd(2), Sergey N. Maximoff(2), Ales̆ Zupan(2), François Goyer(2), Philippe Rocheleau(2), Jana Pavlíková Přecechtělová(2), Martin Kaupp(2), P Boulanger(2), Michel Côté(2), Emna Azek(2), Maroua Khalifa(2), H. Lebel(2), J. P. Perdew(1), Juanita Jaramillo(1)