Mihály Kállay

Budapest University of Technology and Economics

Hungary

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Articles (10)

Accurate thermochemistry at affordable cost by means of an improved version of the JunChS‐F12 model chemistry

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Year:

2023

Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction

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Year:

2023

Vertical Ionization Potentials and Electron Affinities at the Double-Hybrid Density Functional Level

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Year:

2023

Reduced-Cost Second-Order Algebraic-Diagrammatic Construction Method for Core Excitations

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Year:

2023

Turning Red without Feeling Embarrassed─Xanthenium-Based Photocages for Red-Light-Activated Phototherapeutics

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Year:

2023

Analytic gradients for local density fitting Hartree–Fock and Kohn–Sham methods

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Year:

2023

Basis Set Limit CCSD(T) Energies for Extended Molecules via a Reduced-Cost Explicitly Correlated Approach

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Year:

2023

Performance of Multilevel Methods for Excited States

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Year:

2022

Pursuing the basis set limit of CCSD(T) non-covalent interaction energies for medium-sized complexes: case study on the S66 compilation

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Year:

2022

Implementation and Optimization of the Embedded Cluster Reference Interaction Site Model with Atomic Charges

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Year:

2022

Collaborators (3)

Peter Nagy

Budapest University of Technology and Economics

HUNGARY

Vincenzo Barone

Full professor

Scuola Normale Superiore

ITALY

Péter G. Szalay

professor of chemistry

Eötvös Loránd University

HUNGARY

Mihály Kállay

Research Interests

Explore related searches

Contact this professor

Articles (10)

Accurate thermochemistry at affordable cost by means of an improved version of the JunChS‐F12 model chemistry

Basis Set Limit of CCSD(T) Energies: Explicit Correlation Versus Density-Based Basis-Set Correction

Vertical Ionization Potentials and Electron Affinities at the Double-Hybrid Density Functional Level

Reduced-Cost Second-Order Algebraic-Diagrammatic Construction Method for Core Excitations

Turning Red without Feeling Embarrassed─Xanthenium-Based Photocages for Red-Light-Activated Phototherapeutics

Analytic gradients for local density fitting Hartree–Fock and Kohn–Sham methods

Basis Set Limit CCSD(T) Energies for Extended Molecules via a Reduced-Cost Explicitly Correlated Approach

Performance of Multilevel Methods for Excited States

Pursuing the basis set limit of CCSD(T) non-covalent interaction energies for medium-sized complexes: case study on the S66 compilation

Implementation and Optimization of the Embedded Cluster Reference Interaction Site Model with Atomic Charges

Collaborators (3)

Peter Nagy

Vincenzo Barone

Péter G. Szalay

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