Dávid Mester

Budapest University of Technology and Economics — Hungary

Physics and Astronomy · Physical Sciences

15h-index1.2kcitations35works5.62yr avg
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Research Topics

Advanced Chemical Physics Studies(19), Spectroscopy and Quantum Chemical Studies(16), Photochemistry and Electron Transfer Studies(8), Molecular Junctions and Nanostructures(4), Advanced NMR Techniques and Applications(3)

Publications35 total

A linear-scaling integral-direct explicitly correlated second-order Møller-Plesset approach
2026Open Access
Improved molecular conductance predictions using wavefunction-in-DFT quantum embedding
The Journal of Chemical Physics·2026
Improved Molecular Conductance Predictions using Wavefunction-in-DFT Quantum Embedding
2026Open Access
Improved Molecular Conductance Predictions using Wavefunction-in-DFT Quantum Embedding
2025
Near-Basis-Set-Limit Double-Hybrid DFT Energies with Exceptionally Low Computational Costs
The Journal of Physical Chemistry Letters·2025· 4 citedOpen Access
Overview of Developments in the MRCC Program System
The Journal of Physical Chemistry A·2025· 43 citedOpen Access
An overview of developments in the MRCC program system
2025· 1 citedOpen Access
Supramolecular Control of the Photoisomerization of a Coumarin-Based Photoswitch
ACS Omega·2024Open Access
Higher-order coupled-cluster calculations with basis-set corrections
Chemical Physics Letters·2024· 6 cited
Basis-Set Limit CCSD(T) Energies for Large Molecules with Local Natural Orbitals and Reduced-Scaling Basis-Set Corrections
Journal of Chemical Theory and Computation·2024· 8 citedOpen Access
Basis-set limit CCSD(T) energies for large molecules with local natural orbitals and reduced-scaling basis-set corrections
2024Open Access
Photochemistry of a water-soluble coumarin-based photoswitch
Dyes and Pigments·2023· 8 citedOpen Access
Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction
Journal of Chemical Theory and Computation·2023· 14 citedOpen Access
Vertical Ionization Potentials and Electron Affinities at the Double-Hybrid Density Functional Level
Journal of Chemical Theory and Computation·2023· 10 citedOpen Access
Reduced-Cost Second-Order Algebraic-Diagrammatic Construction Method for Core Excitations
Journal of Chemical Theory and Computation·2023· 11 citedOpen Access
Double-Hybrid Density Functional Theory for Core Excitations: Theory and Benchmark Calculations
Journal of Chemical Theory and Computation·2023· 20 citedOpen Access
Performance of Multilevel Methods for Excited States
The Journal of Physical Chemistry A·2022· 18 citedOpen Access
Charge-Transfer Excitations within Density Functional Theory: How Accurate Are the Most Recommended Approaches?
Journal of Chemical Theory and Computation·2022· 107 citedOpen Access
Accurate Spectral Properties within Double-Hybrid Density Functional Theory: A Spin-Scaled Range-Separated Second-Order Algebraic-Diagrammatic Construction-Based Approach
Journal of Chemical Theory and Computation·2022· 24 citedOpen Access
Spin-Scaled Range-Separated Double-Hybrid Density Functional Theory for Excited States
Journal of Chemical Theory and Computation·2021· 40 citedOpen Access
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Frequent Co-authors

Mihály Kállay(30), Péter R. Nagy(8), Miklós Kubinyi(6), Bence Hégely(4), Bence Ladóczki(4), Dóra Hessz(4), Márton Bojtár(4), Gyula Samu(3), József Csontos(3), József Csóka(3), P. Bernát Szabó(3), László Gyevi‐Nagy(3), Klára Petrov(3), Péter G. Szalay(3), Dávid P. Jelenfi(3), Réka A. Horváth(2), Balázs D. Lőrincz(2), István Bitter(2), Attila Tajti(2), Péter Bagi(2)