Tomasz A. Wesołowski

University of Geneva — Switzerland

Physics and Astronomy · Physical Sciences

46h-index9.4kcitations205works0.22yr avg
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Research Topics

Advanced Chemical Physics Studies(98), Spectroscopy and Quantum Chemical Studies(70), Photochemistry and Electron Transfer Studies(30), Molecular Junctions and Nanostructures(16), Crystallography and molecular interactions(15)

Publications204 total

Density dependent embedding potentials for piecewise exact densities
The Journal of Chemical Physics·2025Open Access
Can Semilocal Approximations to the Embedding Potential Tackle Charge-Transfer-to-Solvent Excitations? An Aqueous Thiocyanate Example
Journal of Chemical Theory and Computation·2025· 1 citedOpen Access
Density dependent embedding potentials for piecewise exact densities
arXiv (Cornell University)·2025Open Access
Oscillator strengths from Frozen Density Embedding Theory based calculations
Electronic Structure·2025Open Access
The effect of hydrogen bonding on two-photon absorption in pyrimidine in water clusters
Molecular Physics·2025Open Access
The non-additive kinetic potential as a bi-functional: Corrections to the local density approximation depending on density gradients
Advances in quantum chemistry·2025
Assessment of Approximations to the Embedding Potential in Frozen-Density Embedding Theory for the Calculation of Electric Field Gradients
Journal of Chemical Theory and Computation·2023· 2 cited
Embedding Nonrigid Solutes in an Averaged Environment: A Case Study on Rhodopsins
Journal of Chemical Theory and Computation·2023· 4 citedOpen Access
Symmetrized non-decomposable approximations of the non-additive kinetic energy functional
The Journal of Chemical Physics·2023· 5 citedOpen Access
Fine-Tuning of Entangled Two-Photon Absorption by Controlling the One-Photon Absorption Properties of the Chromophore
The Journal of Physical Chemistry Letters·2023· 4 cited
Excitation Energies of Embedded Chromophores from Frozen-Density Embedding Theory Using State-Specific Electron Densities of the Environment
The Journal of Physical Chemistry A·2023· 8 cited
Simulations of electric field gradient fluctuations and dynamics around sodium ions in ionic liquids
The Journal of Chemical Physics·2022· 7 citedOpen Access
Nuclear cusps and singularities in the nonadditive kinetic potential bifunctional from analytical inversion
Physical review. A/Physical review, A·2022· 4 citedOpen Access
DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science
2022· 8 citedOpen Access
Is the non-additive kinetic potential always equal to the difference of effective potentials from inverting the Kohn–Sham equation?
The Journal of Chemical Physics·2022· 9 citedOpen Access
Nuclear cusps and singularities in the non-additive kinetic potential bi-functional from analytical inversion
arXiv (Cornell University)·2022Open Access
N-representability of the target density in Frozen-Density Embedding Theory based methods: Numerical significance and its relation to electronic polarization
The Journal of Chemical Physics·2022· 7 citedOpen Access
DFT Exchange: Sharing Perspectives on the Workhorse of Quantum Chemistry and Materials Science
2022· 26 citedOpen Access
Multi-level Computer Simulations of Condensed Matter Based on Subsystem Formulation of Density Functional Theory
2022
The significance of negativity of the target density in Frozen-Density EmbeddingTheory based simulations
2022Open Access
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Frequent Co-authors

Jacques Weber(11), Arieh Warshel(4), Xiuwen Zhou(4), Evert Jan Baerends(4), Jakub W. Kamiński(4), Fabien Tran(4), Y. Ellinger(3), Johannes Neugebauer(3), Marcin Dułak(3), Marie Humbert‐Droz(3), Francesco Aquilante(2), Andreas Dreuw(2), Laura Gagliardi(2), Massimo Olivucci(2), Igor Schapiro(2), Alexander Zech(2), Sapana V. Shedge(2), Henry Chermette(2), Anna I. Krylov(2), Katarzyna Pernal(2)