Mihály Kállay

51PUBLICATIONS
26CO-AUTHORS
Statistical mechanics in chemistryStatistical mechanics, physical combinatorics and mathematical aspects of condensed matterTheoretical quantum chemistryOptimisationMathematical aspects of quantum and conformal field theory, quantum gravity and string theory
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Publications (51)

|Jun 24, 2026
Scalable Correlated Local Approaches for Computing Valence and Core-Level Ionization Energies in Large Molecules.

|Apr 08, 2026
Development of Local Natural Orbital Arbitrary Order Coupled Cluster Methods and Assessment through Connected Quadruples.

Vladimir Fishman, Balázs D Lőrincz, Emmanouil Semidalas

|Mar 18, 2026
Accurate Core-Level Ionization Energies from an Affordable Second-Order Approach.

Dávid Mester, Mihály Kállay

|Mar 03, 2026
A Linear-Scaling Integral-Direct Explicitly Correlated Second-Order Møller-Plesset Approach.

Mihály Kállay, Péter R Nagy, Bence Ladóczki

|Dec 08, 2025
From Energies to Geometries: Development and Validation of a Robust yet Accurate Tool for Explicitly Correlated Structural Optimizations at an Affordable Cost.

Luigi Crisci, Mihály Kállay, Vincenzo Barone

|Jul 17, 2025
Extending the Projection-Based Embedding Technique to Open-Shell Systems Using the Huzinaga Equation.

Bence Hégely, Mihály Kállay

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Frequent Collaborators

18 joint publications

Dávid Mester

15 joint publications

Péter R Nagy

5 joint publications

Pál D Mezei

5 joint publications

Bence Hégely