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Journal of Chemical Theory and Computation
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July 3, 2019
Combined Density Functional and Algebraic-Diagrammatic Construction Approach for Accurate Excitation Energies and Transition Moments
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
February 1, 2019
Reduced-Scaling Approach for Configuration Interaction Singles and Time-Dependent Density Functional Theory Calculations Using Hybrid Functionals
Dávid Mester, Mihály Kállay
The Journal of Physical Chemistry Letters
|
February 20, 2025
Near-Basis-Set-Limit Double-Hybrid DFT Energies with Exceptionally Low Computational Costs
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
March 18, 2026
Accurate Core-Level Ionization Energies from an Affordable Second-Order Approach
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
June 24, 2026
Scalable Correlated Local Approaches for Computing Valence and Core-Level Ionization Energies in Large Molecules
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
January 13, 2022
Accurate Spectral Properties within Double-Hybrid Density Functional Theory: A Spin-Scaled Range-Separated Second-Order Algebraic-Diagrammatic Construction-Based Approach
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
February 24, 2022
Charge-Transfer Excitations within Density Functional Theory: How Accurate Are the Most Recommended Approaches?
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
May 3, 2023
Reduced-Cost Second-Order Algebraic-Diagrammatic Construction Method for Core Excitations
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
November 11, 2023
Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
February 1, 2023
Double-Hybrid Density Functional Theory for Core Excitations: Theory and Benchmark Calculations
Dávid Mester, Mihály Kállay
Page
of 3
Search research articles
Search
Showing results (1-10 of 24) with videos related to
Sort By:
Page
of 3
Journal of Chemical Theory and Computation
|
July 3, 2019
Combined Density Functional and Algebraic-Diagrammatic Construction Approach for Accurate Excitation Energies and Transition Moments
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
February 1, 2019
Reduced-Scaling Approach for Configuration Interaction Singles and Time-Dependent Density Functional Theory Calculations Using Hybrid Functionals
Dávid Mester, Mihály Kállay
The Journal of Physical Chemistry Letters
|
February 20, 2025
Near-Basis-Set-Limit Double-Hybrid DFT Energies with Exceptionally Low Computational Costs
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
March 18, 2026
Accurate Core-Level Ionization Energies from an Affordable Second-Order Approach
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
June 24, 2026
Scalable Correlated Local Approaches for Computing Valence and Core-Level Ionization Energies in Large Molecules
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
January 13, 2022
Accurate Spectral Properties within Double-Hybrid Density Functional Theory: A Spin-Scaled Range-Separated Second-Order Algebraic-Diagrammatic Construction-Based Approach
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
February 24, 2022
Charge-Transfer Excitations within Density Functional Theory: How Accurate Are the Most Recommended Approaches?
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
May 3, 2023
Reduced-Cost Second-Order Algebraic-Diagrammatic Construction Method for Core Excitations
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
November 11, 2023
Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction
Dávid Mester, Mihály Kállay
Journal of Chemical Theory and Computation
|
February 1, 2023
Double-Hybrid Density Functional Theory for Core Excitations: Theory and Benchmark Calculations
Dávid Mester, Mihály Kállay
Page
of 3